ethyl 6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(4-methylphenyl)quinoline-3-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(4-methylphenyl)quinoline-3-carboxylate Openeye Name: ethyl 6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(p-tolyl)quinoline-3-carboxylate CAS Name: 6,7-dimethoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-4-(4-methylphenyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(4-methylphenyl)quinoline-3-carboxylate Traditional Name: 6,7-dimethoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-4-(p-tolyl)quinoline-3-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3C)OC)OC)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3C)OC)OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H27N3O4S/c1-6-33-25(30)24-20(15-34-26-27-11-12-29(26)3)28-19-14-22(32-5)21(31-4)13-18(19)23(24)17-9-7-16(2)8-10-17/h7-14H,6,15H2,1-5H3