2-[4-(1,2-dithiolan-3-yl)butyl]-6-oxidanyl-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(1,2-dithiolan-3-yl)butyl]-6-oxidanyl-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(dithiolan-3-yl)butyl]-6-hydroxy-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-(3-dithiolanyl)butyl]-6-hydroxy-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(dithiolan-3-yl)butyl]-6-hydroxy-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(dithiolan-3-yl)butyl]-6-hydroxy-3H-benzimidazole-5-carboxylic acid Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC2=NC3=C(N2)C=C(C(=C3)O)C(=O)O

Isomeric SMILES

C1CSSC1CCCCC2=NC3=C(N2)C=C(C(=C3)O)C(=O)O

InChI

InChI=1S/C15H18N2O3S2/c18-13-8-12-11(7-10(13)15(19)20)16-14(17-12)4-2-1-3-9-5-6-21-22-9/h7-9,18H,1-6H2,(H,16,17)(H,19,20)