ethyl 4-[[5-[(4-fluorophenyl)methyl]-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepin-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-[(4-fluorophenyl)methyl]-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepin-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-[(4-fluorophenyl)methyl]-6,11,11-trioxo-benzo[b][1,4]benzothiazepine-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[5-[(4-fluorophenyl)methyl]-6,11,11-trioxo-3-benzo[b][1,4]benzothiazepinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-fluorophenyl)methyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-fluorobenzyl)-6,11,11-triketo-benzo[b][1,4]benzothiazepine-3-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C29H28FN3O6S MolecularWeight: 565.612523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C29H28FN3O6S/c1-2-39-29(36)32-15-13-22(14-16-32)31-27(34)20-9-12-26-24(17-20)33(18-19-7-10-21(30)11-8-19)28(35)23-5-3-4-6-25(23)40(26,37)38/h3-12,17,22H,2,13-16,18H2,1H3,(H,31,34)