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

Systemtic Name: ethyl 2-(2-ethylhexanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(2-ethylhexanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethylhexanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3S/c1-5-8-9-16(6-2)20(24)23-21-19(22(25)26-7-3)18(14-27-21)17-12-10-15(4)11-13-17/h10-14,16H,5-9H2,1-4H3,(H,23,24)