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

Systemtic Name: ethyl 4-(8-chloranyl-6-methyl-benzo[b][1,4]benzothiazepin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(8-chloro-6-methyl-benzo[b][1,4]benzothiazepine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(8-chloro-6-methyl-3-benzo[b][1,4]benzothiazepinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(8-chloro-6-methylbenzo[b][1,4]benzothiazepine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(8-chloro-6-methyl-benzo[b][1,4]benzothiazepine-3-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Cl)C(=N3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Cl)C(=N3)C

InChI

InChI=1S/C22H22ClN3O3S/c1-3-29-22(28)26-10-8-25(9-11-26)21(27)15-4-6-20-18(12-15)24-14(2)17-13-16(23)5-7-19(17)30-20/h4-7,12-13H,3,8-11H2,1-2H3