6-methyl-5-[4-(phenylsulfinyl)butanoyl]-1H-benzimidazole-2-carboxylic acid

Systemtic Name: 6-methyl-5-[4-(phenylsulfinyl)butanoyl]-1H-benzimidazole-2-carboxylic acid Openeye Name: 5-[4-(benzenesulfinyl)butanoyl]-6-methyl-1H-benzimidazole-2-carboxylic acid CAS Name: 5-[4-(benzenesulfinyl)-1-oxobutyl]-6-methyl-1H-benzimidazole-2-carboxylic acid IUPAC Name: 5-[4-(benzenesulfinyl)butanoyl]-6-methyl-1H-benzimidazole-2-carboxylic acid Traditional Name: 5-[4-(benzenesulfinyl)butanoyl]-6-methyl-1H-benzimidazole-2-carboxylic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)CCCS(=O)C3=CC=CC=C3)N=C(N2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)CCCS(=O)C3=CC=CC=C3)N=C(N2)C(=O)O

InChI

InChI=1S/C19H18N2O4S/c1-12-10-15-16(21-18(20-15)19(23)24)11-14(12)17(22)8-5-9-26(25)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,20,21)(H,23,24)