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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(2-methyl-3-nitro-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(2-methyl-3-nitro-benzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(2-methyl-3-nitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-methyl-3-nitro-benzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-4-25-17(22)14-10(3)12(8-18)16(26-14)19-15(21)11-6-5-7-13(9(11)2)20(23)24/h5-7H,4H2,1-3H3,(H,19,21)