Chem
J-GLOBAL ID:201707017913937689
Nikkaji number:J3.647.103D
2-[6-(Hexahydro-1H-azepine-1-yl)benzothiazole-2-yl]-2-thiazoline-4β-carboxylic acid
2-[6-(ヘキサヒドロ-1H-アゼピン-1-イル)ベンゾチアゾール-2-イル]-2-チアゾリン-4β-カルボン酸
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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:
C17 H19 N3 O2 S2
Molecular formula furigana:
C17-H19-N3-O2-S2
Molecular weight:
361.480
InChI:
InChI=1S/C17H19N3O2S2/c21-17(22)13-10-23-15(19-13)16-18-12-6-5-11(9-14(12)24-16)20-7-3-1-2-4-8-20/h5-6,9,13H,1-4,7-8,10H2,(H,21,22)/t13-/m1/s1
InChI key:
GRFYBXURSQOJAN-CYBMUJFWSA-N
SMILES:
OC(=O)[C@H]1CSC(=N1)c1nc2ccc(cc2s1)N1CCCCCC1
Systematic name (4):
(4S)-2-[6-(ヘキサヒドロ-1H-アゼピン-1-イル)-2-ベンゾチアゾリル]-2-チアゾリン-4-カルボン酸
2-[6-(ヘキサヒドロ-1H-アゼピン-1-イル)ベンゾチアゾール-2-イル]-2-チアゾリン-4β-カルボン酸
(4S)-2-[6-(アゼパン-1-イル)-1,3-ベンゾチアゾール-2-イル]-4,5-ジヒドロ-1,3-チアゾール-4-カルボン酸
(4S)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Other name (2):
(4S)-2-[6-(Hexahydro-1H-azepine-1-yl)-2-benzothiazolyl]-2-thiazoline-4-carboxylic acid
2-[6-(Hexahydro-1H-azepine-1-yl)benzothiazole-2-yl]-2-thiazoline-4β-carboxylic acid
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