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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(4-ethoxyphenyl)-4-oxo-butanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(4-ethoxyphenyl)-1,4-dioxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-keto-4-p-phenetyl-butanoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C21H22N2O6S/c1-3-27-14-7-5-13(6-8-14)17(24)9-10-18(25)29-12-16-15(11-22)20(23)30-19(16)21(26)28-4-2/h5-8H,3-4,9-10,12,23H2,1-2H3