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

Systemtic Name: ethyl 4-[(6-ethylbenzo[b][1,4]benzothiazepin-3-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(6-ethylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(6-ethyl-3-benzo[b][1,4]benzothiazepinyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(6-ethylbenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=CC=CC=C41

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=CC=CC=C41

InChI

InChI=1S/C24H27N3O3S/c1-3-19-18-7-5-6-8-21(18)31-22-10-9-16(15-20(22)26-19)23(28)25-17-11-13-27(14-12-17)24(29)30-4-2/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,25,28)