ethyl 1-[[6-oxidanylidene-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[6-oxidanylidene-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[6-oxo-5-(3-thienylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[6-oxo-5-[oxo-(3-thiophenylmethylamino)methyl]-1H-pyridin-2-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-oxo-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[6-keto-5-(3-thenylcarbamoyl)-1H-pyridin-2-yl]methyl]isonipecotic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

InChI

InChI=1S/C20H25N3O4S/c1-2-27-20(26)15-5-8-23(9-6-15)12-16-3-4-17(19(25)22-16)18(24)21-11-14-7-10-28-13-14/h3-4,7,10,13,15H,2,5-6,8-9,11-12H2,1H3,(H,21,24)(H,22,25)