4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methyl-furan-2-carboxylic acid Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methyl-furan-2-carboxylic acid CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylic acid Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-5-methyl-2-furoic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H12N2O3S/c1-8-9(6-12(19-8)13(17)18)7-20-14-15-10-4-2-3-5-11(10)16-14/h2-6H,7H2,1H3,(H,15,16)(H,17,18)