5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine Traditional Name: 7,8-dimethoxy-5-veratryl-2,3,4,5-tetrahydro-1,4-benzothiazepine Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3SCCN2)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3SCCN2)OC)OC)OC

InChI

InChI=1S/C20H25NO4S/c1-22-16-6-5-13(10-17(16)23-2)9-15-14-11-18(24-3)19(25-4)12-20(14)26-8-7-21-15/h5-6,10-12,15,21H,7-9H2,1-4H3