ethyl 4-[(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C24H27N3O4S/c1-3-27-19-15-16(9-10-21(19)32-20-8-6-5-7-18(20)23(27)29)22(28)25-17-11-13-26(14-12-17)24(30)31-4-2/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,25,28)