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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[2-(phenylcarbonyl)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-benzoylbenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(2-benzoylphenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-benzoylbenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2-benzoylbenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C23H18N2O4S/c1-3-29-23(28)20-14(2)18(13-24)22(30-20)25-21(27)17-12-8-7-11-16(17)19(26)15-9-5-4-6-10-15/h4-12H,3H2,1-2H3,(H,25,27)