(1-cyanoindolizin-2-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)OCC2=CN3C=CC=CC3=C2C#N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)OCC2=CN3C=CC=CC3=C2C#N)[O-]

InChI

InChI=1S/C17H13N3O3S/c18-9-14-13(10-19-7-3-1-5-15(14)19)11-23-17(21)12-24-16-6-2-4-8-20(16)22/h1-8,10H,11-12H2