3-[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-pyridyl]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-pyridinyl]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyridin-3-yl]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-pyridyl]-2-keto-ethyl]thio]propionic acid Formula: C18H18N2O7S2 MolecularWeight: 438.47472

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=NC=C(C=C3)C(=O)CSCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=NC=C(C=C3)C(=O)CSCCC(=O)O

InChI

InChI=1S/C18H18N2O7S2/c21-14(11-28-8-5-18(22)23)12-1-4-17(19-10-12)20-29(24,25)13-2-3-15-16(9-13)27-7-6-26-15/h1-4,9-10H,5-8,11H2,(H,19,20)(H,22,23)