[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl] 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 [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 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 [2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)Cl)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)Cl)NC1=O

InChI

InChI=1S/C20H19ClN2O4S/c21-15-4-1-13(2-5-15)7-9-22-19(25)12-27-20(26)14-3-6-17-16(11-14)23-18(24)8-10-28-17/h1-6,11H,7-10,12H2,(H,22,25)(H,23,24)