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

Systemtic Name: 6-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-carbamoyl]-2-methyl-pyridine-3-carboxylic acid Openeye Name: 6-[(1,1-dioxothiolan-3-yl)-methyl-carbamoyl]-2-methyl-pyridine-3-carboxylic acid CAS Name: 6-[[(1,1-dioxo-3-thiolanyl)-methylamino]-oxomethyl]-2-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid Traditional Name: 6-[(1,1-diketothiolan-3-yl)-methyl-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)N(C)C2CCS(=O)(=O)C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)C(=O)N(C)C2CCS(=O)(=O)C2)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-8-10(13(17)18)3-4-11(14-8)12(16)15(2)9-5-6-21(19,20)7-9/h3-4,9H,5-7H2,1-2H3,(H,17,18)