Chem
J-GLOBAL ID：200907095006785779
Nikkaji number：J922.247B
2,3-Dihydro-1,4-benzothiazepin-5(4H)-one
2,3-ジヒドロ-1,4-ベンゾチアゼピン-5(4H)-オン
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
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
Molecular formula： C9H9NOS
Molecular formula furigana： C9-H9-N-O-S
Molecular weight： 179.240
InChI：
InChI=1S/C9H9NOS/c11-9-7-3-1-2-4-8(7)12-6-5-10-9/h1-4H,5-6H2,(H,10,11)
InChI key：
FSBGEQZKWJSKIW-UHFFFAOYSA-N
SMILES：
O=C1NCCSc2ccccc12
Systematic name (3)：
- 2,3-ジヒドロ-1,4-ベンゾチアゼピン-5(4H)-オン
- 2,3,4,5-テトラヒドロ-1,4-ベンゾチアゼピン-5-オン
- 2,3,4,5-tetrahydro-1,4-benzothiazepin-5-one
- 2,3-Dihydro-1,4-benzothiazepin-5(4H)-one
- 2,3,4,5-Tetrahydro-1,4-benzothiazepine-5-one
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