Chem
J-GLOBAL ID:200907015726647949
Nikkaji number:J2.404.991D
(5S)-3-Oxo-5β-[4-[(S)-2-(benzothiazole-2-ylamino)-2-(1H-benzoimidazole-2-yl)ethyl]phenyl]isothiazolidine 1,1-dioxide
(5S)-3-オキソ-5β-[4-[(S)-2-(ベンゾチアゾール-2-イルアミノ)-2-(1H-ベンゾイミダゾール-2-イル)エチル]フェニル]イソチアゾリジン1,1-ジオキシド
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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:
C25 H21 N5 O[O-]2 S[S+2]
Molecular formula furigana:
C25-H21-N5-O3-S2
Molecular weight:
503.600
InChI:
InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22-/m0/s1
InChI key:
CQVSNNWJZWEETM-UNMCSNQZSA-N
SMILES:
[O-][S+2]1([O-])NC(=O)C[C@H]1c1ccc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)cc1
Systematic name (3):
(5S)-3-オキソ-5β-[4-[(S)-2-(ベンゾチアゾール-2-イルアミノ)-2-(1H-ベンゾイミダゾール-2-イル)エチル]フェニル]イソチアゾリジン1,1-ジオキシド
(5S)-5-{4-[(2S)-2-(1H-1,3-ベンゾジアゾール-2-イル)-2-[(1,3-ベンゾチアゾール-2-イル)アミノ]エチル]フェニル}-3-オキソ-1,2-チアゾリジン-1,1-ジイウム-1,1-ビス(オラート)
(5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(1,3-benzothiazol-2-yl)amino]ethyl]phenyl}-3-oxo-1,2-thiazolidine-1,1-diium-1,1-bis(olate)
Other name (1):
(5S)-3-Oxo-5β-[4-[(S)-2-(benzothiazole-2-ylamino)-2-(1H-benzoimidazole-2-yl)ethyl]phenyl]isothiazolidine 1,1-dioxide
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