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

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-6,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-6,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-6,7-dimethyl-2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-6,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-6,7-dimethyl-2-[[(1-methylimidazol-2-yl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2S/c1-7-32-26(31)25-23(15-33-27-28-10-11-30(27)6)29-22-14-19(5)18(4)13-21(22)24(25)20-9-8-16(2)17(3)12-20/h8-14H,7,15H2,1-6H3