5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCN(C3=CC=CC=C3S2)CC4=CC5=C(C(=C4)OC)OCO5

Isomeric SMILES

COC1=CC=CC=C1C2CCN(C3=CC=CC=C3S2)CC4=CC5=C(C(=C4)OC)OCO5

InChI

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