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

Systemtic Name: ethyl 4-cyano-5-(dodecanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(dodecanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxododecylamino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(dodecanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(lauroylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3S/c1-4-6-7-8-9-10-11-12-13-14-18(24)23-20-17(15-22)16(3)19(27-20)21(25)26-5-2/h4-14H2,1-3H3,(H,23,24)