ethyl 5-methyl-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzyl-1-piperidyl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperidino)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-3-27-22(26)19-13-16(2)28-21(19)23-20(25)15-24-11-9-18(10-12-24)14-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,14-15H2,1-2H3,(H,23,25)