prop-2-ynyl 4-[4-[[methyl-(3-nitropyridin-2-yl)amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[[methyl-(3-nitropyridin-2-yl)amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[[methyl-(3-nitro-2-pyridyl)amino]carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[2-methyl-2-(3-nitro-2-pyridinyl)hydrazinyl]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[[methyl-(3-nitropyridin-2-yl)amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[methyl-(3-nitro-2-pyridyl)amino]carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C19H20N6O5S MolecularWeight: 444.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC=N1)[N+](=O)[O-])NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

Isomeric SMILES

CN(C1=C(C=CC=N1)[N+](=O)[O-])NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C19H20N6O5S/c1-3-11-30-19(27)24-9-6-13(7-10-24)18-21-14(12-31-18)17(26)22-23(2)16-15(25(28)29)5-4-8-20-16/h1,4-5,8,12-13H,6-7,9-11H2,2H3,(H,22,26)