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

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-[(3S)-3-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 [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-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-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H22N2O4S/c1-12-3-2-7-20(10-12)17(22)11-24-18(23)13-4-5-15-14(9-13)19-16(21)6-8-25-15/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,19,21)/t12-/m0/s1