methyl 4-cyano-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxopentylamino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(valerylamino)thiophene-2-carboxylic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(S1)C(=O)OC)C)C#N

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(S1)C(=O)OC)C)C#N

InChI

InChI=1S/C13H16N2O3S/c1-4-5-6-10(16)15-12-9(7-14)8(2)11(19-12)13(17)18-3/h4-6H2,1-3H3,(H,15,16)