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

Systemtic Name: [1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [1-methyl-2-(4-methyl-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 [1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 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-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H24N2O4S/c1-12-5-8-21(9-6-12)18(23)13(2)25-19(24)14-3-4-16-15(11-14)20-17(22)7-10-26-16/h3-4,11-13H,5-10H2,1-2H3,(H,20,22)