ethyl 2-(dodecanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(dodecanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(dodecanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(1-oxododecylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(dodecanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(lauroylamino)-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H37NO3S MolecularWeight: 443.64188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C26H37NO3S/c1-4-6-7-8-9-10-11-12-13-14-23(28)27-25-24(26(29)30-5-2)22(19-31-25)21-17-15-20(3)16-18-21/h15-19H,4-14H2,1-3H3,(H,27,28)