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

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-6,7-dimethoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 6,7-dimethoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-4-p-phenetyl-quinoline-3-carboxylic acid ethyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=NC3=CC(=C(C=C32)OC)OC)CSC4=NC=CN4C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=NC3=CC(=C(C=C32)OC)OC)CSC4=NC=CN4C)C(=O)OCC

InChI

InChI=1S/C27H29N3O5S/c1-6-34-18-10-8-17(9-11-18)24-19-14-22(32-4)23(33-5)15-20(19)29-21(25(24)26(31)35-7-2)16-36-27-28-12-13-30(27)3/h8-15H,6-7,16H2,1-5H3