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

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC4=C(C=C3)OCO4)CC5CC5

Isomeric SMILES

COC1=CC2=C(C=C1)N(CC[C@@H](S2)C3=CC4=C(C=C3)OCO4)CC5CC5

InChI

InChI=1S/C21H23NO3S/c1-23-16-5-6-17-21(11-16)26-20(8-9-22(17)12-14-2-3-14)15-4-7-18-19(10-15)25-13-24-18/h4-7,10-11,14,20H,2-3,8-9,12-13H2,1H3/t20-/m1/s1