6-[[1,1-bis(oxidanylidene)thian-4-yl]carbamoyl]-2-methyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[[1,1-bis(oxidanylidene)thian-4-yl]carbamoyl]-2-methyl-pyridine-3-carboxylic acid Openeye Name: 6-[(1,1-dioxothian-4-yl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid CAS Name: 6-[[(1,1-dioxo-4-thianyl)amino]-oxomethyl]-2-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-[(1,1-dioxothian-4-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid Traditional Name: 6-[(1,1-diketothian-4-yl)carbamoyl]-2-methyl-nicotinic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(=O)NC2CCS(=O)(=O)CC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)C(=O)NC2CCS(=O)(=O)CC2)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-8-10(13(17)18)2-3-11(14-8)12(16)15-9-4-6-21(19,20)7-5-9/h2-3,9H,4-7H2,1H3,(H,15,16)(H,17,18)