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

Systemtic Name: ethyl 4-[[6-oxidanylidene-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[6-oxo-5-(3-thienylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[6-oxo-5-[oxo-(3-thiophenylmethylamino)methyl]-1H-pyridin-2-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-oxo-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[6-keto-5-(3-thenylcarbamoyl)-1H-pyridin-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

InChI

InChI=1S/C19H24N4O4S/c1-2-27-19(26)23-8-6-22(7-9-23)12-15-3-4-16(18(25)21-15)17(24)20-11-14-5-10-28-13-14/h3-5,10,13H,2,6-9,11-12H2,1H3,(H,20,24)(H,21,25)