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

Systemtic Name: (3-chlorophenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (3-chlorophenyl)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 (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)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 (3-chlorobenzyl) ester Formula: C17H14ClNO3S MolecularWeight: 347.81596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)Cl)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)Cl)NC1=O

InChI

InChI=1S/C17H14ClNO3S/c18-13-3-1-2-11(8-13)10-22-17(21)12-4-5-15-14(9-12)19-16(20)6-7-23-15/h1-5,8-9H,6-7,10H2,(H,19,20)