ethyl 5-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(5-chloro-2-nitro-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-chloro-2-nitrobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(5-chloro-2-nitro-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O5S/c1-3-25-16(22)13-8(2)11(7-18)15(26-13)19-14(21)10-6-9(17)4-5-12(10)20(23)24/h4-6H,3H2,1-2H3,(H,19,21)