ethyl 4,5-dimethyl-2-[(4-nitrophenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(4-nitrophenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(4-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(4-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-nitrobenzoyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S2/c1-4-25-16(22)13-9(2)10(3)27-15(13)19-17(26)18-14(21)11-5-7-12(8-6-11)20(23)24/h5-8H,4H2,1-3H3,(H2,18,19,21,26)