[1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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