methyl 3-[4-[(5-azanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-[(5-azanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(5-amino-2-fluoro-anilino)-4-oxo-butyl]sulfanylpropanoate CAS Name: 3-[[4-(5-amino-2-fluoroanilino)-4-oxobutyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-amino-2-fluoroanilino)-4-oxobutyl]sulfanylpropanoate Traditional Name: 3-[[4-(5-amino-2-fluoro-anilino)-4-keto-butyl]thio]propionic acid methyl ester Formula: C14H19FN2O3S MolecularWeight: 314.375663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN2O3S/c1-20-14(19)6-8-21-7-2-3-13(18)17-12-9-10(16)4-5-11(12)15/h4-5,9H,2-3,6-8,16H2,1H3,(H,17,18)