(4-nitrophenyl)methyl 2-(4-ethanoylsulfanylpiperidin-1-yl)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-ethanoylsulfanylpiperidin-1-yl)-1,3-thiazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(4-acetylsulfanyl-1-piperidyl)thiazole-4-carboxylate CAS Name: 2-[4-(acetylthio)-1-piperidinyl]-4-thiazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-acetylsulfanylpiperidin-1-yl)-1,3-thiazole-4-carboxylate Traditional Name: 2-[4-(acetylthio)piperidino]thiazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1)C2=NC(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CCN(CC1)C2=NC(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S2/c1-12(22)28-15-6-8-20(9-7-15)18-19-16(11-27-18)17(23)26-10-13-2-4-14(5-3-13)21(24)25/h2-5,11,15H,6-10H2,1H3