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

Systemtic Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-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-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-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-(4-carbethoxypiperidino)-2-keto-ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H24N2O6S/c1-2-27-19(25)13-5-8-22(9-6-13)18(24)12-28-20(26)14-3-4-16-15(11-14)21-17(23)7-10-29-16/h3-4,11,13H,2,5-10,12H2,1H3,(H,21,23)