[2-oxidanylidene-2-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-[2-(4-oxo-2-thioxo-thiazolidin-3-yl)ethylamino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[2-(4-oxo-2-sulfanylidene-3-thiazolidinyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[2-(4-keto-2-thioxo-thiazolidin-3-yl)ethylamino]ethyl] ester Formula: C13H13N3O5S2 MolecularWeight: 355.38942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=S)S1)CCNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C1C(=O)N(C(=S)S1)CCNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C13H13N3O5S2/c17-10(14-3-6-16-11(18)8-23-13(16)22)7-21-12(19)9-1-4-15(20)5-2-9/h1-2,4-5H,3,6-8H2,(H,14,17)