5-[(2,3-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-[(2,3-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-[(2,3-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[(2,3-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-[(2,3-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(3-methoxyphenyl)-5-o-veratryl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C25H27NO3S/c1-27-20-10-6-8-18(16-20)23-14-15-26(21-11-4-5-13-24(21)30-23)17-19-9-7-12-22(28-2)25(19)29-3/h4-13,16,23H,14-15,17H2,1-3H3