ethyl 2-(4-chlorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate

Systemtic Name: ethyl 2-(4-chlorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate CAS Name: 2-(4-chlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Traditional Name: 2-(4-chlorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C18H16ClNO3S MolecularWeight: 361.84254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO3S/c1-2-23-18(22)15-16(11-7-9-12(19)10-8-11)24-14-6-4-3-5-13(14)20-17(15)21/h3-10,15-16H,2H2,1H3,(H,20,21)