S-[1-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-1-oxidanylidene-propan-2-yl] ethanethioate

Systemtic Name: S-[1-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-1-oxidanylidene-propan-2-yl] ethanethioate Openeye Name: S-[2-(1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)-1-methyl-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-(1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl)-1-oxopropan-2-yl] ester IUPAC Name: S-[1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)-1-oxopropan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-(1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C9H12NO5S+ MolecularWeight: 246.26028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[N+]1(C(=O)CCC1=O)O)SC(=O)C

Isomeric SMILES

CC(C(=O)[N+]1(C(=O)CCC1=O)O)SC(=O)C

InChI

InChI=1S/C9H12NO5S/c1-5(16-6(2)11)9(14)10(15)7(12)3-4-8(10)13/h5,15H,3-4H2,1-2H3/q+1