(4-methylsulfanylphenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [4-(methylthio)benzyl] ester Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H17NO3S2/c1-23-14-5-2-12(3-6-14)11-22-18(21)13-4-7-16-15(10-13)19-17(20)8-9-24-16/h2-7,10H,8-9,11H2,1H3,(H,19,20)