methyl 1-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-[2-[(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl]-6-keto-nicotinic acid methyl ester Formula: C13H16N2O6S MolecularWeight: 328.34094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C=C1)CC(=O)NC2CCS(=O)(=O)C2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C=C1)CC(=O)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C13H16N2O6S/c1-21-13(18)9-2-3-12(17)15(6-9)7-11(16)14-10-4-5-22(19,20)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,14,16)