(2-benzamido-2-oxidanylidene-ethyl) 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (2-benzamido-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-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-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-benzamido-2-keto-ethyl) ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)NC1=O

InChI

InChI=1S/C19H16N2O5S/c22-16-8-9-27-15-7-6-13(10-14(15)20-16)19(25)26-11-17(23)21-18(24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,22)(H,21,23,24)