dimethyl 5-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(2-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H17N3O8S MolecularWeight: 483.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H17N3O8S/c1-31-20(27)12-9-13(21(28)32-2)11-14(10-12)23-22(34)24-19(26)18-8-7-17(33-18)15-5-3-4-6-16(15)25(29)30/h3-11H,1-2H3,(H2,23,24,26,34)