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

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(thiophen-3-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(3-thienylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(3-thiophenylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(thiophen-3-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(3-thenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC4=C(C=C3)OCO4)CC5=CSC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N(CC[C@@H](S2)C3=CC4=C(C=C3)OCO4)CC5=CSC=C5

InChI

InChI=1S/C22H21NO3S2/c1-24-17-3-4-18-22(11-17)28-21(6-8-23(18)12-15-7-9-27-13-15)16-2-5-19-20(10-16)26-14-25-19/h2-5,7,9-11,13,21H,6,8,12,14H2,1H3/t21-/m1/s1