ethyl 1-(6-propylbenzo[b][1,4]benzothiazepin-3-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(6-propylbenzo[b][1,4]benzothiazepin-3-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(6-propylbenzo[b][1,4]benzothiazepine-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(6-propyl-3-benzo[b][1,4]benzothiazepinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-propylbenzo[b][1,4]benzothiazepine-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(6-propylbenzo[b][1,4]benzothiazepine-3-carbonyl)isonipecotic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC)SC4=CC=CC=C41

InChI

InChI=1S/C25H28N2O3S/c1-3-7-20-19-8-5-6-9-22(19)31-23-11-10-18(16-21(23)26-20)24(28)27-14-12-17(13-15-27)25(29)30-4-2/h5-6,8-11,16-17H,3-4,7,12-15H2,1-2H3