methyl 2-[3-[(5-azanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-[(5-azanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoate Openeye Name: methyl 2-[3-(5-amino-2-fluoro-anilino)-3-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-(5-amino-2-fluoroanilino)-3-oxopropyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate Traditional Name: 2-[[3-(5-amino-2-fluoro-anilino)-3-keto-propyl]thio]acetic acid methyl ester Formula: C12H15FN2O3S MolecularWeight: 286.322503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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