ethyl 4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl 4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate CAS Name: 4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Traditional Name: 4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2NC1=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(SC2=CC=CC=C2NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO3S/c1-2-22-18(21)15-16(12-8-4-3-5-9-12)23-14-11-7-6-10-13(14)19-17(15)20/h3-11,15-16H,2H2,1H3,(H,19,20)