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

Systemtic Name: methyl 2-(dodecanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(dodecanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(1-oxododecylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dodecanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(lauroylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C25H35NO3S MolecularWeight: 429.6153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO3S/c1-4-5-6-7-8-9-10-11-12-13-22(27)26-24-23(25(28)29-3)21(18-30-24)20-16-14-19(2)15-17-20/h14-18H,4-13H2,1-3H3,(H,26,27)