diethyl 3-methyl-5-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(2-nitrophenyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(2-nitrophenyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H23N3O6S2 MolecularWeight: 513.58592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6S2/c1-4-32-22(28)19-14(3)20(23(29)33-5-2)35-21(19)26-24(34)25-16-12-10-15(11-13-16)17-8-6-7-9-18(17)27(30)31/h6-13H,4-5H2,1-3H3,(H2,25,26,34)