ethyl 4-[(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(6-ethyl-8-methyl-benzo[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:

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C25H29N3O3S/c1-4-20-19-14-16(3)6-8-22(19)32-23-9-7-17(15-21(23)27-20)24(29)26-18-10-12-28(13-11-18)25(30)31-5-2/h6-9,14-15,18H,4-5,10-13H2,1-3H3,(H,26,29)