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

Systemtic Name: methyl 2-(2-ethylhexanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(2-ethylhexanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylhexanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3S/c1-5-7-8-15(6-2)19(23)22-20-18(21(24)25-4)17(13-26-20)16-11-9-14(3)10-12-16/h9-13,15H,5-8H2,1-4H3,(H,22,23)