6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 1-keto-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21NO5S/c1-21-18(11-5-7-12(27-4)8-6-11)17(20(23)24)13-9-15(25-2)16(26-3)10-14(13)19(21)22/h5-10,17-18H,1-4H3,(H,23,24)