methyl (2R)-4-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C13H17ClN3O3S+ MolecularWeight: 330.81038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCS1)CC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

COC(=O)[C@H]1C[NH+](CCS1)CC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C13H16ClN3O3S/c1-20-13(19)10-7-17(5-6-21-10)8-11(18)16-9-3-2-4-15-12(9)14/h2-4,10H,5-8H2,1H3,(H,16,18)/p+1/t10-/m1/s1