Chem
J-GLOBAL ID：200907026013479479   Nikkaji number：J844.733K

2,2′-(2,3-Didehydro-3H-2-thia(IV)-6-thia-1,3,4,8-tetraaza-s-indacene-5,7-diyl)bis(1H-pyrrole-1-carboxylic acid tert-butyl) ester

2,2′-(2,3-ジデヒドロ-3H-2-チア(IV)-6-チア-1,3,4,8-テトラアザ-s-インダセン-5,7-ジイル)ビス(1H-ピロール-1-カルボン酸tert-ブチル)
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： C24H24N6O4S2
Molecular formula furigana： C24-H24-N6-O4-S2
Molecular weight： 524.610
InChI： InChI=1S/C24H24N6O4S2/c1-23(2,3)33-21(31)29-11-7-9-13(29)17-15-16(26-20-19(25-15)27-36-28-20)18(35-17)14-10-8-12-30(14)22(32)34-24(4,5)6/h7-12H,1-6H3
InChI key： TVUOZDLSYOBQQP-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)n1cccc1c1sc(c2cccn2C(=O)OC(C)(C)C)c2nc3nsnc3nc12
Systematic name  (3)：
  • 2,2′-(2,3-ジデヒドロ-3H-2-チア(IV)-6-チア-1,3,4,8-テトラアザ-s-インダセン-5,7-ジイル)ビス(1H-ピロール-1-カルボン酸tert-ブチル)
  • tert-ブチル 2-(12-{1-[(tert-ブトキシ)カルボニル]-1H-ピロール-2-イル}-5λ4,11-ジチア-2,4,6,8-テトラアザトリシクロ[7.3.0.03,7]ドデカ-1(12),2,4,5,7,9-ヘキサエン-10-イル)-1H-ピロール-1-カルボキシラート
  • tert-butyl 2-(12-{1-[(tert-butoxy)carbonyl]-1H-pyrrol-2-yl}-5λ4,11-dithia-2,4,6,8-tetraazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-10-yl)-1H-pyrrole-1-carboxylate
Other name (1)：
  • 2,2′-(2,3-Didehydro-3H-2-thia(IV)-6-thia-1,3,4,8-tetraaza-s-indacene-5,7-diyl)bis(1H-pyrrole-1-carboxylic acid tert-butyl) ester
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