methyl 2-[1-[(3-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-[(3-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[2-(3-amino-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[1-(3-amino-4-fluoroanilino)-1-oxopropan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3-amino-4-fluoroanilino)-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[2-(3-amino-4-fluoro-anilino)-2-keto-1-methyl-ethyl]thio]acetic acid methyl ester Formula: C12H15FN2O3S MolecularWeight: 286.322503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)N)SCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)N)SCC(=O)OC

InChI

InChI=1S/C12H15FN2O3S/c1-7(19-6-11(16)18-2)12(17)15-8-3-4-9(13)10(14)5-8/h3-5,7H,6,14H2,1-2H3,(H,15,17)