8-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NN=C(O3)C4=CC=CC=C4)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NN=C(O3)C4=CC=CC=C4)OCO1

InChI

InChI=1S/C18H14N2O5S/c21-17(22)12-6-13-8-23-10-24-15(13)14(7-12)9-26-18-20-19-16(25-18)11-4-2-1-3-5-11/h1-7H,8-10H2,(H,21,22)