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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-4-phenyl-butanoyl)oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-oxo-4-phenyl-butanoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(1,4-dioxo-4-phenylbutoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-oxo-4-phenylbutanoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-keto-4-phenyl-butanoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S/c1-2-25-19(24)17-14(13(10-20)18(21)27-17)11-26-16(23)9-8-15(22)12-6-4-3-5-7-12/h3-7H,2,8-9,11,21H2,1H3