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

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C23H22N2O3S MolecularWeight: 406.49738

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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=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-26-18-3-4-19-23(13-18)29-22(17-2-5-20-21(12-17)28-15-27-20)8-11-25(19)14-16-6-9-24-10-7-16/h2-7,9-10,12-13,22H,8,11,14-15H2,1H3/t22-/m1/s1