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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=S)S1)CCNC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1C(=O)N(C(=S)S1)CCNC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

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