[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H18FN3O3S MolecularWeight: 363.406523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C)F

InChI

InChI=1S/C17H18FN3O3S/c1-10-4-5-13(7-14(10)18)21-15(22)8-24-16(23)9-25-17-19-11(2)6-12(3)20-17/h4-7H,8-9H2,1-3H3,(H,21,22)