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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-2-keto-ethyl] ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H16N2O5S/c1-15(11-4-7-21(18,19)9-11)12(16)8-20-13(17)10-2-5-14-6-3-10/h2-3,5-6,11H,4,7-9H2,1H3/t11-/m0/s1