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

Systemtic Name: methyl 2-(decanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(decanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(1-oxodecylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(decanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(caprylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3S/c1-4-5-6-7-8-9-10-11-20(25)24-22-21(23(26)27-3)19(16-28-22)18-14-12-17(2)13-15-18/h12-16H,4-11H2,1-3H3,(H,24,25)