ethyl 6-chloranyl-4-(3,4-dimethoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-(3,4-dimethoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-(3,4-dimethoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 6-chloro-4-(3,4-dimethoxyphenyl)-2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(3,4-dimethoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 6-chloro-4-(3,4-dimethoxyphenyl)-2-[[(1-methylimidazol-2-yl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC(=C(C=C3)OC)OC)Cl)CSC4=NC=CN4C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC(=C(C=C3)OC)OC)Cl)CSC4=NC=CN4C

InChI

InChI=1S/C25H24ClN3O4S/c1-5-33-24(30)23-19(14-34-25-27-10-11-29(25)2)28-18-8-7-16(26)13-17(18)22(23)15-6-9-20(31-3)21(12-15)32-4/h6-13H,5,14H2,1-4H3