2-[methyl-[2-(4-sulfanylidenepyridin-1-yl)ethyl]amino]ethanesulfonic acid

Systemtic Name: 2-[methyl-[2-(4-sulfanylidenepyridin-1-yl)ethyl]amino]ethanesulfonic acid Openeye Name: 2-[methyl-[2-(4-thioxo-1-pyridyl)ethyl]amino]ethanesulfonic acid CAS Name: 2-[methyl-[2-(4-sulfanylidene-1-pyridinyl)ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[methyl-[2-(4-sulfanylidenepyridin-1-yl)ethyl]amino]ethanesulfonic acid Traditional Name: 2-[methyl-[2-(4-thioxo-1-pyridyl)ethyl]amino]ethanesulfonic acid Formula: C10H16N2O3S2 MolecularWeight: 276.37564

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CC(=S)C=C1)CCS(=O)(=O)O

Isomeric SMILES

CN(CCN1C=CC(=S)C=C1)CCS(=O)(=O)O

InChI

InChI=1S/C10H16N2O3S2/c1-11(8-9-17(13,14)15)6-7-12-4-2-10(16)3-5-12/h2-5H,6-9H2,1H3,(H,13,14,15)