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

Systemtic Name: [2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(N-ethyl-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O3S/c1-3-25(17-10-8-16(23)9-11-17)21(26)13-28-22(27)14-29-20-12-15(2)18-6-4-5-7-19(18)24-20/h4-12H,3,13-14H2,1-2H3