[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylbutylsulfanyl)-3-nitro-benzoate

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylbutylsulfanyl)-3-nitro-benzoate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] 4-isopentylsulfanyl-3-nitro-benzoate CAS Name: 4-(3-methylbutylthio)-3-nitrobenzoic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] 4-(3-methylbutylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(isoamylthio)-3-nitro-benzoic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN2O5S/c1-13(2)9-10-29-18-8-7-14(11-17(18)23(26)27)20(25)28-12-19(24)22-16-6-4-3-5-15(16)21/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,24)