dimethyl 5-[(4-fluoranyl-3-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(4-fluoranyl-3-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-fluoro-3-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-fluoro-3-nitrophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-fluoro-3-nitro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H14FN3O6S2 MolecularWeight: 427.427263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H14FN3O6S2/c1-7-11(14(21)25-2)13(28-12(7)15(22)26-3)19-16(27)18-8-4-5-9(17)10(6-8)20(23)24/h4-6H,1-3H3,(H2,18,19,27)