4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid Openeye Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinecarboxylic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid Traditional Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]quinoline-3-carboxylic acid Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=NC3=CC(=C(C=C3C(=C2C(=O)O)C4=CC(=C(C=C4)OC)OC)OC)OC

Isomeric SMILES

CN1C=CN=C1SCC2=NC3=CC(=C(C=C3C(=C2C(=O)O)C4=CC(=C(C=C4)OC)OC)OC)OC

InChI

InChI=1S/C25H25N3O6S/c1-28-9-8-26-25(28)35-13-17-23(24(29)30)22(14-6-7-18(31-2)19(10-14)32-3)15-11-20(33-4)21(34-5)12-16(15)27-17/h6-12H,13H2,1-5H3,(H,29,30)