5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid Openeye Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-3-furoic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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