methyl 4-cyano-3-methyl-5-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H14N4O6S2 MolecularWeight: 470.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H14N4O6S2/c1-10-13(9-21)18(32-16(10)19(26)29-2)23-20(31)22-17(25)15-7-6-14(30-15)11-4-3-5-12(8-11)24(27)28/h3-8H,1-2H3,(H2,22,23,25,31)