ethyl 1-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(6-oxo-5H-benzo[b][1,4]benzothiazepin-3-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(6-keto-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)nipecotic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H22N2O4S/c1-2-28-22(27)15-6-5-11-24(13-15)21(26)14-9-10-19-17(12-14)23-20(25)16-7-3-4-8-18(16)29-19/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,23,25)