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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[4-(2-oxidanylidene-2-phenyl-ethanoyl)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[4-(2-oxo-2-phenyl-acetyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[4-(1,2-dioxo-2-phenylethyl)phenyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[[4-(2-keto-2-phenyl-acetyl)benzoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H18N2O5S MolecularWeight: 446.47512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C24H18N2O5S/c1-3-31-24(30)21-14(2)18(13-25)23(32-21)26-22(29)17-11-9-16(10-12-17)20(28)19(27)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,26,29)