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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(2,5-dimethylphenyl)-1,4-dioxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(2,5-dimethylphenyl)-4-keto-butanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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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=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-27-21(26)19-16(15(10-22)20(23)29-19)11-28-18(25)8-7-17(24)14-9-12(2)5-6-13(14)3/h5-6,9H,4,7-8,11,23H2,1-3H3