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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(octanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(octanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(1-oxooctylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-(octanoylamino)thiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3S/c1-4-6-7-8-9-10-19(24)23-21-20(22(25)26-5-2)18(15-27-21)17-13-11-16(3)12-14-17/h11-15H,4-10H2,1-3H3,(H,23,24)