butyl 3-acetamido-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: butyl 3-acetamido-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: butyl 3-acetamido-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 3-acetamido-4-cyano-5-(methylthio)-2-thiophenecarboxylic acid butyl ester IUPAC Name: butyl 3-acetamido-4-cyano-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 3-acetamido-4-cyano-5-(methylthio)thiophene-2-carboxylic acid butyl ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=C(S1)SC)C#N)NC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=C(C(=C(S1)SC)C#N)NC(=O)C

InChI

InChI=1S/C13H16N2O3S2/c1-4-5-6-18-12(17)11-10(15-8(2)16)9(7-14)13(19-3)20-11/h4-6H2,1-3H3,(H,15,16)