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

Systemtic Name: (3-methylphenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: m-tolylmethyl 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-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)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-methylbenzyl) ester Formula: C18H17NO3S MolecularWeight: 327.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H17NO3S/c1-12-3-2-4-13(9-12)11-22-18(21)14-5-6-16-15(10-14)19-17(20)7-8-23-16/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)