8-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC4=C3OCOC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC4=C3OCOC4)C(=O)O

InChI

InChI=1S/C18H16N2O4S/c1-10-2-3-14-15(4-10)20-18(19-14)25-8-13-6-11(17(21)22)5-12-7-23-9-24-16(12)13/h2-6H,7-9H2,1H3,(H,19,20)(H,21,22)