[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [(1S)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [(1S)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19FN2O3S MolecularWeight: 398.450563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OC(C)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O3S/c1-13-11-19(24-18-6-4-3-5-17(13)18)28-12-20(25)27-14(2)21(26)23-16-9-7-15(22)8-10-16/h3-11,14H,12H2,1-2H3,(H,23,26)/t14-/m0/s1