[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C14H12N2O6S MolecularWeight: 336.31988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c1-23-11-5-3-2-4-9(11)15-12(17)8-21-14(18)10-6-7-13(22-10)16(19)20/h2-7H,8H2,1H3,(H,15,17)