methyl 4-ethyl-2-[(4-fluoranyl-3-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-[(4-fluoranyl-3-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[(4-fluoro-3-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[(4-fluoro-3-nitrophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(4-fluoro-3-nitro-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16FN3O4S2 MolecularWeight: 397.444343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H16FN3O4S2/c1-4-10-8(2)26-14(13(10)15(21)24-3)19-16(25)18-9-5-6-11(17)12(7-9)20(22)23/h5-7H,4H2,1-3H3,(H2,18,19,25)