methyl 4-[(2-fluoranyl-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-fluoranyl-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2-fluoro-5-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2-fluoro-5-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-fluoro-5-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C12H12FN3O5S MolecularWeight: 329.304183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])F

InChI

InChI=1S/C12H12FN3O5S/c1-21-11(18)5-4-10(17)15-12(22)14-9-6-7(16(19)20)2-3-8(9)13/h2-3,6H,4-5H2,1H3,(H2,14,15,17,22)