1-[[1,1-bis(oxidanylidene)thietan-3-yl]carbonyl-methyl-amino]-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[[1,1-bis(oxidanylidene)thietan-3-yl]carbonyl-methyl-amino]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[(1,1-dioxothietane-3-carbonyl)-methyl-amino]-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-[[(1,1-dioxo-3-thietanyl)-oxomethyl]-methylamino]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(1,1-dioxothietane-3-carbonyl)-methylamino]-2-oxopyridine-3-carboxylic acid Traditional Name: 1-[(1,1-diketothietane-3-carbonyl)-methyl-amino]-2-keto-nicotinic acid Formula: C11H12N2O6S MolecularWeight: 300.28778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1CS(=O)(=O)C1)N2C=CC=C(C2=O)C(=O)O

Isomeric SMILES

CN(C(=O)C1CS(=O)(=O)C1)N2C=CC=C(C2=O)C(=O)O

InChI

InChI=1S/C11H12N2O6S/c1-12(9(14)7-5-20(18,19)6-7)13-4-2-3-8(10(13)15)11(16)17/h2-4,7H,5-6H2,1H3,(H,16,17)