6-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-2-methyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-2-methyl-pyridine-3-carboxylic acid Openeye Name: 6-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid CAS Name: 6-[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]-2-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid Traditional Name: 6-[(1,1-diketothiolan-3-yl)carbamoyl]-2-methyl-nicotinic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(=O)NC2CCS(=O)(=O)C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)C(=O)NC2CCS(=O)(=O)C2)C(=O)O

InChI

InChI=1S/C12H14N2O5S/c1-7-9(12(16)17)2-3-10(13-7)11(15)14-8-4-5-20(18,19)6-8/h2-3,8H,4-6H2,1H3,(H,14,15)(H,16,17)