6-methyl-5-(4-methylsulfinylbutanoyl)-1H-benzimidazole-2-carboxylic acid

Systemtic Name: 6-methyl-5-(4-methylsulfinylbutanoyl)-1H-benzimidazole-2-carboxylic acid Openeye Name: 6-methyl-5-(4-methylsulfinylbutanoyl)-1H-benzimidazole-2-carboxylic acid CAS Name: 6-methyl-5-(4-methylsulfinyl-1-oxobutyl)-1H-benzimidazole-2-carboxylic acid IUPAC Name: 6-methyl-5-(4-methylsulfinylbutanoyl)-1H-benzimidazole-2-carboxylic acid Traditional Name: 6-methyl-5-(4-methylsulfinylbutanoyl)-1H-benzimidazole-2-carboxylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)CCCS(=O)C)N=C(N2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)CCCS(=O)C)N=C(N2)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-8-6-10-11(16-13(15-10)14(18)19)7-9(8)12(17)4-3-5-21(2)20/h6-7H,3-5H2,1-2H3,(H,15,16)(H,18,19)