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

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(2-ethoxyanilino)-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-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-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-keto-2-(o-phenetidino)ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H20N2O5S/c1-2-26-16-6-4-3-5-14(16)21-19(24)12-27-20(25)13-7-8-17-15(11-13)22-18(23)9-10-28-17/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,23)