methyl 6,7-dimethoxy-2-(3-methylsulfinylphenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 6,7-dimethoxy-2-(3-methylsulfinylphenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 6,7-dimethoxy-2-(3-methylsulfinylphenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 6,7-dimethoxy-2-(3-methylsulfinylphenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6,7-dimethoxy-2-(3-methylsulfinylphenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-6,7-dimethoxy-2-(3-methylsulfinylphenyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C29H29NO9S MolecularWeight: 567.60686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC(=CC=C4)S(=O)C)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC(=CC=C4)S(=O)C)C(=O)OC

InChI

InChI=1S/C29H29NO9S/c1-34-21-14-19-20(15-22(21)35-2)28(31)30(17-9-8-10-18(13-17)40(7)33)26(29(32)39-6)25(19)16-11-23(36-3)27(38-5)24(12-16)37-4/h8-15H,1-7H3