ethyl 5-azanyl-4-cyano-3-[[4-(phenylcarbonyl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(phenylcarbonyl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-benzoylbenzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-benzoylphenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-benzoylbenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(4-benzoylbenzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O5S/c1-2-29-23(28)20-18(17(12-24)21(25)31-20)13-30-22(27)16-10-8-15(9-11-16)19(26)14-6-4-3-5-7-14/h3-11H,2,13,25H2,1H3