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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid (4-nitrobenzyl) ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C18H17FN2O5S/c1-12(27-11-17(22)20-15-6-4-14(19)5-7-15)18(23)26-10-13-2-8-16(9-3-13)21(24)25/h2-9,12H,10-11H2,1H3,(H,20,22)