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

Systemtic Name: (2R)-5-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-8-methoxy-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: (2R)-5-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-8-methoxy-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: (2R)-5-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-8-methoxy-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: (2R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-methoxy-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: (2R)-5-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-8-methoxy-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CC[C@@H](SC3=C2C=CC(=C3)OC)C4=CC(=C(C=C4)OC)C

InChI

InChI=1S/C25H31N3O2S/c1-6-28-16-20(18(3)26-28)15-27-12-11-24(19-7-10-23(30-5)17(2)13-19)31-25-14-21(29-4)8-9-22(25)27/h7-10,13-14,16,24H,6,11-12,15H2,1-5H3/t24-/m1/s1