Chem
J-GLOBAL ID:200907018275214406   Nikkaji number:J543.942F

(2S)-5-[2-(Isopropylamino)ethyl]-2α,3α-dihydro-3β-acetoxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

(2S)-5-[2-(イソプロピルアミノ)エチル]-2α,3α-ジヒドロ-3β-アセトキシ-2-(4-メトキシフェニル)-1,5-ベンゾチアゼピン-4(5H)-オン
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: C23H28N2O4S
Molecular formula furigana: C23-H28-N2-O4-S
Molecular weight: 428.550
InChI: InChI=1S/C23H28N2O4S/c1-15(2)24-13-14-25-19-7-5-6-8-20(19)30-22(21(23(25)27)29-16(3)26)17-9-11-18(28-4)12-10-17/h5-12,15,21-22,24H,13-14H2,1-4H3/t21-,22+/m1/s1
InChI key: ASEHESQULDACPI-YADHBBJMSA-N
SMILES: COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCNC(C)C)C(=O)[C@@H]1OC(=O)C
Systematic name  (3):
  • (2S)-5-[2-(イソプロピルアミノ)エチル]-2α,3α-ジヒドロ-3β-アセトキシ-2-(4-メトキシフェニル)-1,5-ベンゾチアゼピン-4(5H)-オン
  • (2S,3S)-2-(4-メトキシフェニル)-4-オキソ-5-{2-[(プロパン-2-イル)アミノ]エチル}-2,3,4,5-テトラヒドロ-1,5-ベンゾチアゼピン-3-イル アセタート
  • (2S,3S)-2-(4-methoxyphenyl)-4-oxo-5-{2-[(propan-2-yl)amino]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
Other name (1):
  • (2S)-5-[2-(Isopropylamino)ethyl]-2α,3α-dihydro-3β-acetoxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
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