ethyl 1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)isonipecotic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-2-24-18(23)12-5-8-20(9-6-12)17(22)13-3-4-15-14(11-13)19-16(21)7-10-25-15/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)