(3R)-5-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-3-(propylsulfonylamino)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide

Systemtic Name: (3R)-5-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-3-(propylsulfonylamino)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-5-[(4-methylsulfanylphenyl)methyl]-4-oxo-3-(propylsulfonylamino)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-5-[[4-(methylthio)phenyl]methyl]-4-oxo-3-(propylsulfonylamino)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-5-[(4-methylsulfanylphenyl)methyl]-4-oxo-3-(propylsulfonylamino)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-4-keto-5-[4-(methylthio)benzyl]-3-(propylsulfonylamino)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C21H25N3O4S3 MolecularWeight: 479.6359

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1CSC2=C(C=C(C=C2)C(=O)N)N(C1=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCCS(=O)(=O)N[C@H]1CSC2=C(C=C(C=C2)C(=O)N)N(C1=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25N3O4S3/c1-3-10-31(27,28)23-17-13-30-19-9-6-15(20(22)25)11-18(19)24(21(17)26)12-14-4-7-16(29-2)8-5-14/h4-9,11,17,23H,3,10,12-13H2,1-2H3,(H2,22,25)/t17-/m0/s1