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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=NC=C(C=C2)C(=O)O

InChI

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