(phenylmethyl) 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: benzyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid benzyl ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO3S/c1-13(18(22)23-11-14-5-3-2-4-6-14)24-12-17(21)20-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21)