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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C16H13FN2O5S MolecularWeight: 364.348223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN2O5S/c17-11-5-7-12(8-6-11)18-15(20)9-24-16(21)10-25-14-4-2-1-3-13(14)19(22)23/h1-8H,9-10H2,(H,18,20)