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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(propanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(propanoyloxymethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-(1-oxopropoxymethyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(propanoyloxymethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(propionyloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1=C(SC(=C1C#N)N)C(=O)OCC

Isomeric SMILES

CCC(=O)OCC1=C(SC(=C1C#N)N)C(=O)OCC

InChI

InChI=1S/C12H14N2O4S/c1-3-9(15)18-6-8-7(5-13)11(14)19-10(8)12(16)17-4-2/h3-4,6,14H2,1-2H3