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

Systemtic Name: ethyl 4-(8-methyl-6-propyl-benzo[b][1,4]benzothiazepin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OCC)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OCC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C25H29N3O3S/c1-4-6-20-19-15-17(3)7-9-22(19)32-23-10-8-18(16-21(23)26-20)24(29)27-11-13-28(14-12-27)25(30)31-5-2/h7-10,15-16H,4-6,11-14H2,1-3H3