methyl 3-[2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(3-amino-4-fluoro-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3-amino-4-fluoroanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-amino-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(3-amino-4-fluoro-anilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C12H15FN2O3S MolecularWeight: 286.322503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC(=C(C=C1)F)N

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC(=C(C=C1)F)N

InChI

InChI=1S/C12H15FN2O3S/c1-18-12(17)4-5-19-7-11(16)15-8-2-3-9(13)10(14)6-8/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)