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

Systemtic Name: ethyl 4-[(6-methylbenzo[b][1,4]benzothiazepin-3-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(6-methylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(6-methyl-3-benzo[b][1,4]benzothiazepinyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-methylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(6-methylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C23H25N3O3S/c1-3-29-23(28)26-12-10-17(11-13-26)25-22(27)16-8-9-21-19(14-16)24-15(2)18-6-4-5-7-20(18)30-21/h4-9,14,17H,3,10-13H2,1-2H3,(H,25,27)