2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]sulfanylethanoate

Systemtic Name: 2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]sulfanylethanoate Openeye Name: 2-[2-oxo-2-(4-pyridylmethylamino)ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]thio]acetate IUPAC Name: 2-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(4-pyridylmethylamino)ethyl]thio]acetate Formula: C10H11N2O3S- MolecularWeight: 239.27094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNC(=O)CSCC(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1CNC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C10H12N2O3S/c13-9(6-16-7-10(14)15)12-5-8-1-3-11-4-2-8/h1-4H,5-7H2,(H,12,13)(H,14,15)/p-1