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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thian-4-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-(1,1-dioxothian-4-yl)benzimidazole-5-carboxylic acid CAS Name: 1-(1,1-dioxo-4-thianyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-(1,1-dioxothian-4-yl)benzimidazole-5-carboxylic acid Traditional Name: 1-(1,1-diketothian-4-yl)benzimidazole-5-carboxylic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1N2C=NC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CCC1N2C=NC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-13(17)9-1-2-12-11(7-9)14-8-15(12)10-3-5-20(18,19)6-4-10/h1-2,7-8,10H,3-6H2,(H,16,17)