ethyl 5-azanyl-4-cyano-3-[[2-(4-methylphenyl)carbonylphenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-(4-methylphenyl)carbonylphenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-[(4-methylphenyl)-oxomethyl]phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-p-toluoylbenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O5S/c1-3-30-24(29)21-19(18(12-25)22(26)32-21)13-31-23(28)17-7-5-4-6-16(17)20(27)15-10-8-14(2)9-11-15/h4-11H,3,13,26H2,1-2H3