4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylic acid Openeye Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylic acid CAS Name: 4-cyano-5-[(2-ethyl-1-oxobutyl)amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophene-2-carboxylic acid Traditional Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-2-thenoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)O)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)O)C)C#N

InChI

InChI=1S/C13H16N2O3S/c1-4-8(5-2)11(16)15-12-9(6-14)7(3)10(19-12)13(17)18/h8H,4-5H2,1-3H3,(H,15,16)(H,17,18)