3-[(2,3-dimethoxyphenyl)methyl]-7,8-dimethoxy-5-methylsulfanyl-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[(2,3-dimethoxyphenyl)methyl]-7,8-dimethoxy-5-methylsulfanyl-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[(2,3-dimethoxyphenyl)methyl]-7,8-dimethoxy-5-methylsulfanyl-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[(2,3-dimethoxyphenyl)methyl]-7,8-dimethoxy-5-(methylthio)-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[(2,3-dimethoxyphenyl)methyl]-7,8-dimethoxy-5-methylsulfanyl-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 7,8-dimethoxy-5-(methylthio)-3-o-veratryl-2,5-dihydro-1H-3-benzazepin-4-one Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCC3=CC(=C(C=C3C(C2=O)SC)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCC3=CC(=C(C=C3C(C2=O)SC)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-25-17-8-6-7-15(20(17)28-4)13-23-10-9-14-11-18(26-2)19(27-3)12-16(14)21(29-5)22(23)24/h6-8,11-12,21H,9-10,13H2,1-5H3