methyl 4-(2,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-methyl-1-piperidyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-2-[[2-(4-methyl-1-piperidinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-[[2-(4-methylpiperidino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=C(C=CC(=C3)C)C)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=C(C=CC(=C3)C)C)C(=O)OC

InChI

InChI=1S/C22H28N2O3S/c1-14-7-9-24(10-8-14)12-19(25)23-21-20(22(26)27-4)18(13-28-21)17-11-15(2)5-6-16(17)3/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,23,25)