[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-14-7-6-10-18(16(14)3)23-20(25)12-27-22(26)13-28-21-11-15(2)17-8-4-5-9-19(17)24-21/h4-11H,12-13H2,1-3H3,(H,23,25)