Chem
J-GLOBAL ID:200907028055833690   Nikkaji number:J623.660J

2-(4-Methoxyphenyl)-3-hydroxy-4,5-dihydro-4-oxo-1,5-benzothiazepine 1-oxide

2-(4-メトキシフェニル)-3-ヒドロキシ-4,5-ジヒドロ-4-オキソ-1,5-ベンゾチアゼピン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: C16H13NO3[O-][S+]
Molecular formula furigana: C16-H13-N-O4-S
Molecular weight: 315.340
InChI: InChI=1S/C16H13NO4S/c1-21-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)22(15)20/h2-9,18H,1H3,(H,17,19)
InChI key: IRJVQPYCLJSXDY-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C1=C(O)C(=O)Nc2ccccc2[S+]1[O-]
Systematic name  (3):
  • 2-(4-メトキシフェニル)-3-ヒドロキシ-4,5-ジヒドロ-4-オキソ-1,5-ベンゾチアゼピン1-オキシド
  • 3-ヒドロキシ-2-(4-メトキシフェニル)-4-オキソ-4,5-ジヒドロ-1H-1,5-ベンゾチアゼピン-1-イウム-1-オラート
  • 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-1,5-benzothiazepin-1-ium-1-olate
Other name (1):
  • 2-(4-Methoxyphenyl)-3-hydroxy-4,5-dihydro-4-oxo-1,5-benzothiazepine 1-oxide
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