[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-15-12-19(22-18-11-7-6-10-17(15)18)27-14-21(25)26-13-20(24)23(2)16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3