2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Formula: C24H26ClN3O3S MolecularWeight: 471.99954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCC(SC3=C2C=CC(=C3)OC)C4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCC(SC3=C2C=CC(=C3)OC)C4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C24H26ClN3O3S/c1-4-28-13-16(15(2)26-28)12-27-8-7-23(32-24-9-17(29-3)5-6-20(24)27)18-10-21-22(11-19(18)25)31-14-30-21/h5-6,9-11,13,23H,4,7-8,12,14H2,1-3H3