(2R)-5-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: (2R)-5-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: (2R)-5-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: (2R)-5-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: (2R)-5-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: (2R)-2-(3-methoxyphenyl)-5-piperonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2CCN(C3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23NO3S/c1-26-19-6-4-5-18(14-19)23-11-12-25(20-7-2-3-8-24(20)29-23)15-17-9-10-21-22(13-17)28-16-27-21/h2-10,13-14,23H,11-12,15-16H2,1H3/t23-/m1/s1