ethyl 4-(3,4-dimethoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[[(1-methylimidazol-2-yl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-5-32-24(29)23-19(15-33-25-26-12-13-28(25)2)27-18-9-7-6-8-17(18)22(23)16-10-11-20(30-3)21(14-16)31-4/h6-14H,5,15H2,1-4H3