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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=CC(=C(C=C1)F)N

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=CC(=C(C=C1)F)N

InChI

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