(2-methylquinolin-8-yl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (2-methylquinolin-8-yl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (2-methyl-8-quinolyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-methyl-8-quinolyl) ester Formula: C24H18ClNO2S MolecularWeight: 419.92322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl)C=C1

InChI

InChI=1S/C24H18ClNO2S/c1-16-5-8-18-3-2-4-22(23(18)26-16)28-24(27)19-9-6-17(7-10-19)15-29-21-13-11-20(25)12-14-21/h2-14H,15H2,1H3