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

Systemtic Name: ethyl 3-methyl-5-[(4-nitrophenyl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(4-nitrobenzoyl)amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[(4-nitrophenyl)-oxomethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(4-nitrobenzoyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[(4-nitrobenzoyl)amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S2/c1-3-24-16(21)13-9(2)12(25-8-17)15(26-13)18-14(20)10-4-6-11(7-5-10)19(22)23/h4-7H,3H2,1-2H3,(H,18,20)