S-[2-(2-oxidanylidene-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-4-yl)ethyl] ethanethioate

Systemtic Name: S-[2-(2-oxidanylidene-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-4-yl)ethyl] ethanethioate Openeye Name: S-[2-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-4-yl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-4-yl)ethyl] ester IUPAC Name: S-[2-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-4-yl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(2-keto-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-4-yl)ethyl] ester Formula: C11H13N2O2S+ MolecularWeight: 237.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC[N+]1=CC=CC2=C1CC(=O)N2

Isomeric SMILES

CC(=O)SCC[N+]1=CC=CC2=C1CC(=O)N2

InChI

InChI=1S/C11H12N2O2S/c1-8(14)16-6-5-13-4-2-3-9-10(13)7-11(15)12-9/h2-4H,5-7H2,1H3/p+1