Chem
J-GLOBAL ID：200907054917851649   Nikkaji number：J2.224.144C

NKX-2697

NKX-2697
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C35H30N2O4S3
Molecular formula furigana： C35-H30-N2-O4-S3
Molecular weight： 638.820
InChI： InChI=1S/C35H30N2O4S3/c1-34(2)11-13-37-14-12-35(3,4)29-30(37)23(34)17-19-16-22(33(40)41-31(19)29)24-7-8-27(43-24)28-10-9-26(44-28)25-6-5-21(42-25)15-20(18-36)32(38)39/h5-10,15-17H,11-14H2,1-4H3,(H,38,39)
InChI key： PNQAFJHNVUGIIA-UHFFFAOYSA-N
SMILES： CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(c2ccc(s2)c2ccc(s2)c2ccc(C=C(C#N)C(=O)O)s2)c(=O)oc31
Systematic name  (5)：
  • 2-シアノ-3-[5′′-(2,3,6,7-テトラヒドロ-1,1,7,7-テトラメチル-11-オキソ-1H,5H,11H-[1]ベンゾピラノ[6,7,8-ij]キノリジン10-イル)-2,2′:5′,2′′-テルチオフェン-5-イル]プロペン酸
  • 5′′-(11-オキソ-1,1,7,7-テトラメチル1,2,3,5,6,7-ヘキサヒドロ-11H-[1]ベンゾピラノ[6,7,8-ij]キノリジン-10-イル)-α-シアノ-2,2′:5′,2′′-テルチオフェン-5-アクリル酸
  • 3-[5′′-[6-オキソ-10,10,16,16-テトラメチル-7-オキサ-13-アザテトラシクロ[7.7.1.03,8.013,17]ヘプタデカン-1(17),2,4,8-テトラエン-5-イル]-2,2′:5′,2′′-テルチオフェン-5-イル]-2-シアノプロペン酸
  • 2-シアノ-3-[5'-(5-{10,10,16,16-テトラメチル-4-オキソ-3-オキサ-13-アザテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1,5,7,9(17)-テトラエン-5-イル}チオフェン-2-イル)-[2,2'-ビチオフェン]-5-イル]プロパ-2-エン酸
  • 2-cyano-3-[5'-(5-{10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl}thiophen-2-yl)-[2,2'-bithiophen]-5-yl]prop-2-enoic acid
Other name (4)：
  • 2-Cyano-3-[5′′-(2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine 10-yl)-2,2′:5′,2′′-terthiophene-5-yl]propenoic acid
  • NKX-2697
  • 5′′-(11-Oxo-1,1,7,7-tetramethyl 1,2,3,5,6,7-hexahydro-11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-yl)-α-cyano-2,2′:5′,2′′-terthiophene-5-acrylic acid
  • 3-[5′′-[6-Oxo-10,10,16,16-tetramethyl-7-oxa-13-azatetracyclo[7.7.1.03,8.013,17]heptadecane-1(17),2,4,8-tetraene-5-yl]-2,2′:5′,2′′-terthiophene-5-yl]-2-cyanopropenoic acid
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