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

Systemtic Name: methyl 2-[4-[(3-azanyl-4-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoate Openeye Name: methyl 2-[4-(3-amino-4-fluoro-anilino)-4-oxo-butyl]sulfanylacetate CAS Name: 2-[[4-(3-amino-4-fluoroanilino)-4-oxobutyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-amino-4-fluoroanilino)-4-oxobutyl]sulfanylacetate Traditional Name: 2-[[4-(3-amino-4-fluoro-anilino)-4-keto-butyl]thio]acetic acid methyl ester Formula: C13H17FN2O3S MolecularWeight: 300.349083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O3S/c1-19-13(18)8-20-6-2-3-12(17)16-9-4-5-10(14)11(15)7-9/h4-5,7H,2-3,6,8,15H2,1H3,(H,16,17)