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

Systemtic Name: ethyl 4-cyano-3-methyl-5-(undecanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(undecanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxoundecylamino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(undecanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(undecanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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