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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)-2-furoyl]thiocarbamoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C21H16N4O6S2 MolecularWeight: 484.50494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N)C

InChI

InChI=1S/C21H16N4O6S2/c1-3-30-20(27)17-11(2)13(10-22)19(33-17)24-21(32)23-18(26)16-9-8-15(31-16)12-6-4-5-7-14(12)25(28)29/h4-9H,3H2,1-2H3,(H2,23,24,26,32)