2-[5-azanyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-[5-azanyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-[5-amino-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-[5-amino-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-[5-amino-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-[5-amino-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-keto-4-mercapto-butyric acid Formula: C12H10F3N3O3S MolecularWeight: 333.28631

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1NC(=N2)C(CC(=O)S)C(=O)O)N)C(F)(F)F

Isomeric SMILES

C1=C(C(=CC2=C1NC(=N2)C(CC(=O)S)C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C12H10F3N3O3S/c13-12(14,15)5-2-7-8(3-6(5)16)18-10(17-7)4(11(20)21)1-9(19)22/h2-4H,1,16H2,(H,17,18)(H,19,22)(H,20,21)