[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)C)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)C)F)C

InChI

InChI=1S/C19H20FNO3S/c1-12-5-7-17(14(3)8-12)25-11-19(23)24-10-18(22)21-16-6-4-13(2)9-15(16)20/h4-9H,10-11H2,1-3H3,(H,21,22)