2-(4-chlorophenyl)sulfanylethyl 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C21H20ClNO2S MolecularWeight: 385.907

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCCSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCCSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H20ClNO2S/c1-3-18-20(14(2)17-6-4-5-7-19(17)23-18)21(24)25-12-13-26-16-10-8-15(22)9-11-16/h4-11H,3,12-13H2,1-2H3