ethyl 2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H23N3O6S2 MolecularWeight: 513.58592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H23N3O6S2/c1-4-32-23(29)21-18(16-6-5-7-17(11-16)27(30)31)13-35-22(21)26-24(34)25-20(28)12-33-19-10-14(2)8-9-15(19)3/h5-11,13H,4,12H2,1-3H3,(H2,25,26,28,34)