(2R)-5-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: (2R)-5-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: (2R)-5-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: (2R)-5-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: (2R)-5-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: (2R)-8-methoxy-2-(2-methoxyphenyl)-5-piperonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC=CC=C3OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N(CC[C@@H](S2)C3=CC=CC=C3OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25NO4S/c1-27-18-8-9-20-25(14-18)31-24(19-5-3-4-6-21(19)28-2)11-12-26(20)15-17-7-10-22-23(13-17)30-16-29-22/h3-10,13-14,24H,11-12,15-16H2,1-2H3/t24-/m1/s1