[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C)C

InChI

InChI=1S/C22H21NO3S/c1-14-8-9-18(15(2)10-14)20(24)12-26-22(25)13-27-21-11-16(3)17-6-4-5-7-19(17)23-21/h4-11H,12-13H2,1-3H3