methyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2,6-dimethyl-1-piperidyl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2,6-dimethyl-1-piperidinyl)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2,6-dimethylpiperidino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OC)C

Isomeric SMILES

CC1CCCC(N1CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OC)C

InChI

InChI=1S/C22H28N2O3S/c1-14-8-10-17(11-9-14)18-13-28-21(20(18)22(26)27-4)23-19(25)12-24-15(2)6-5-7-16(24)3/h8-11,13,15-16H,5-7,12H2,1-4H3,(H,23,25)