methyl 4-(4-methylphenyl)-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzyl-1-piperidyl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperidino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-19-8-10-22(11-9-19)23-18-33-26(25(23)27(31)32-2)28-24(30)17-29-14-12-21(13-15-29)16-20-6-4-3-5-7-20/h3-11,18,21H,12-17H2,1-2H3,(H,28,30)