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

Systemtic Name: methyl 4-cyano-5-(dodecanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-(dodecanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxododecylamino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-(dodecanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(lauroylamino)-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3S/c1-4-5-6-7-8-9-10-11-12-13-17(23)22-19-16(14-21)15(2)18(26-19)20(24)25-3/h4-13H2,1-3H3,(H,22,23)