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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

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