2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)thio]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)thio]-2-furoic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC3=C(C(=O)OC3(C)C(=O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SC3=C(C(=O)OC3(C)C(=O)O)O

InChI

InChI=1S/C14H12N2O5S/c1-6-3-4-7-8(5-6)16-13(15-7)22-10-9(17)11(18)21-14(10,2)12(19)20/h3-5,17H,1-2H3,(H,15,16)(H,19,20)