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

Systemtic Name: S-[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl] benzenecarbothioate Openeye Name: S-[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-pyridyl]-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyridin-3-yl]-2-oxoethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-pyridyl]-2-keto-ethyl] ester Formula: C22H18N2O6S2 MolecularWeight: 470.51812

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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)CSC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=NC=C(C=C3)C(=O)CSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O6S2/c25-18(14-31-22(26)15-4-2-1-3-5-15)16-6-9-21(23-13-16)24-32(27,28)17-7-8-19-20(12-17)30-11-10-29-19/h1-9,12-13H,10-11,14H2,(H,23,24)