ethyl 5-azanyl-4-cyano-3-[[4-oxidanylidene-4-(4-phenylphenyl)butanoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-oxidanylidene-4-(4-phenylphenyl)butanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1,4-dioxo-4-(4-phenylphenyl)butoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-keto-4-(4-phenylphenyl)butanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O5S/c1-2-31-25(30)23-20(19(14-26)24(27)33-23)15-32-22(29)13-12-21(28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-13,15,27H2,1H3