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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(2-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(2-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=CC=N5

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=N5

InChI

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