Chem
J-GLOBAL ID：200907090903003234   Nikkaji number：J1.940.317C

2-[3-(Isopropoxycarbonyl)-4-chlorophenyl]-3-oxo-2,3,4,5,6,7-hexahydro-1,2-benzisothiazole 1-oxide

2-[3-(イソプロポキシカルボニル)-4-クロロフェニル]-3-オキソ-2,3,4,5,6,7-ヘキサヒドロ-1,2-ベンゾイソチアゾール1-オキシド
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： C17H18ClNO3[O-][S+]
Molecular formula furigana： C17-H18-CL-N-O4-S
Molecular weight： 367.840
InChI： InChI=1S/C17H18ClNO4S/c1-10(2)23-17(21)13-9-11(7-8-14(13)18)19-16(20)12-5-3-4-6-15(12)24(19)22/h7-10H,3-6H2,1-2H3
InChI key： AKIYRAVGZMIZBG-UHFFFAOYSA-N
SMILES： CC(C)OC(=O)c1cc(ccc1Cl)N1[S+]([O-])C2=C(CCCC2)C1=O
Systematic name  (3)：
  • 2-[3-(イソプロポキシカルボニル)-4-クロロフェニル]-3-オキソ-2,3,4,5,6,7-ヘキサヒドロ-1,2-ベンゾイソチアゾール1-オキシド
  • 2-{4-クロロ-3-[(プロパン-2-イルオキシ)カルボニル]フェニル}-3-オキソ-2,3,4,5,6,7-ヘキサヒドロ-1H-1,2-ベンゾチアゾール-1-イウム-1-オラート
  • 2-{4-chloro-3-[(propan-2-yloxy)carbonyl]phenyl}-3-oxo-2,3,4,5,6,7-hexahydro-1H-1,2-benzothiazol-1-ium-1-olate
Other name (1)：
  • 2-[3-(Isopropoxycarbonyl)-4-chlorophenyl]-3-oxo-2,3,4,5,6,7-hexahydro-1,2-benzisothiazole 1-oxide
Thsaurus map：
Thesaurus Map

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