[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-28-20-18(8-5-11-22-20)21(26)27-15-19(25)23-17-9-12-24(13-10-17)14-16-6-3-2-4-7-16/h2-8,11,17H,9-10,12-15H2,1H3,(H,23,25)