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

Systemtic Name: ethyl 4-[(6-propylbenzo[b][1,4]benzothiazepin-3-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(6-propylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-(6-propyl-3-benzo[b][1,4]benzothiazepinyl)methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-propylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(6-propylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=CC=CC=C41

InChI

InChI=1S/C25H29N3O3S/c1-3-7-20-19-8-5-6-9-22(19)32-23-11-10-17(16-21(23)27-20)24(29)26-18-12-14-28(15-13-18)25(30)31-4-2/h5-6,8-11,16,18H,3-4,7,12-15H2,1-2H3,(H,26,29)