8-(1H-benzimidazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NC4=CC=CC=C4N3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NC4=CC=CC=C4N3)OCO1

InChI

InChI=1S/C17H14N2O4S/c20-16(21)10-5-11-7-22-9-23-15(11)12(6-10)8-24-17-18-13-3-1-2-4-14(13)19-17/h1-6H,7-9H2,(H,18,19)(H,20,21)