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

Systemtic Name: 8-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NN=C(S3)N)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NN=C(S3)N)OCO1

InChI

InChI=1S/C12H11N3O4S2/c13-11-14-15-12(21-11)20-4-8-2-6(10(16)17)1-7-3-18-5-19-9(7)8/h1-2H,3-5H2,(H2,13,14)(H,16,17)