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

Systemtic Name: ethyl 4-(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carbonyl)piperazine-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)N3CCN(CC3)C(=O)OCC)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OCC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C24H27N3O3S/c1-4-19-18-14-16(3)6-8-21(18)31-22-9-7-17(15-20(22)25-19)23(28)26-10-12-27(13-11-26)24(29)30-5-2/h6-9,14-15H,4-5,10-13H2,1-3H3