methyl 4-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(4-fluoroanilino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(4-fluoroanilino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FNO3S/c1-22-17(21)13-4-2-12(3-5-13)10-23-11-16(20)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,20)