1-[1,1-bis(oxidanylidene)thian-4-yl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)thian-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-(1,1-dioxothian-4-yl)-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-(1,1-dioxo-4-thianyl)-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-(1,1-dioxothian-4-yl)-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-(1,1-diketothian-4-yl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3CCS(=O)(=O)CC3)C=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1C3CCS(=O)(=O)CC3)C=CC(=C2)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-9-15-12-8-10(14(17)18)2-3-13(12)16(9)11-4-6-21(19,20)7-5-11/h2-3,8,11H,4-7H2,1H3,(H,17,18)