[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C12H14N2O5S/c15-11(14-10-3-6-20(17,18)8-10)7-19-12(16)9-1-4-13-5-2-9/h1-2,4-5,10H,3,6-8H2,(H,14,15)/t10-/m0/s1