5-[[1,1-bis(oxidanylidene)thian-4-yl]carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[[1,1-bis(oxidanylidene)thian-4-yl]carbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[(1,1-dioxothian-4-yl)carbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[[(1,1-dioxo-4-thianyl)amino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[(1,1-dioxothian-4-yl)carbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[(1,1-diketothian-4-yl)carbamoyl]picolinic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC(=O)C2=CN=C(C=C2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CCC1NC(=O)C2=CN=C(C=C2)C(=O)O

InChI

InChI=1S/C12H14N2O5S/c15-11(8-1-2-10(12(16)17)13-7-8)14-9-3-5-20(18,19)6-4-9/h1-2,7,9H,3-6H2,(H,14,15)(H,16,17)