ethyl 3-methyl-5-[(4-nitrophenyl)carbamoylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[(4-nitrophenyl)carbamoylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(4-nitrophenyl)carbamoylamino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[(4-nitroanilino)-oxomethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(4-nitrophenyl)carbamoylamino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[(4-nitrophenyl)carbamoylamino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SC#N)C

InChI

InChI=1S/C16H14N4O5S2/c1-3-25-15(21)13-9(2)12(26-8-17)14(27-13)19-16(22)18-10-4-6-11(7-5-10)20(23)24/h4-7H,3H2,1-2H3,(H2,18,19,22)