ethyl 5-azanyl-4-cyano-3-(4-oxidanylidenepentanoyloxymethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(4-oxidanylidenepentanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(4-oxopentanoyloxymethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-(1,4-dioxopentoxymethyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(4-oxopentanoyloxymethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(4-ketopentanoyloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S/c1-3-20-14(19)12-10(9(6-15)13(16)22-12)7-21-11(18)5-4-8(2)17/h3-5,7,16H2,1-2H3