2-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl]thio]acetate Formula: C13H14NO5S- MolecularWeight: 296.31896

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CSCC(=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C13H15NO5S/c15-12(7-20-8-13(16)17)14-5-9-6-18-10-3-1-2-4-11(10)19-9/h1-4,9H,5-8H2,(H,14,15)(H,16,17)/p-1/t9-/m1/s1