4-oxidanylidene-4-sulfanyl-2-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-sulfanyl-2-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)butanoic acid Openeye Name: 4-oxo-4-sulfanyl-2-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)butanoic acid CAS Name: 4-mercapto-4-oxo-2-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)butanoic acid IUPAC Name: 4-oxo-4-sulfanyl-2-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)butanoic acid Traditional Name: 4-keto-4-mercapto-2-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)butyric acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)NC(=N2)C(CC(=O)S)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(=C2C(=C1C)NC(=N2)C(CC(=O)S)C(=O)O)C)C

InChI

InChI=1S/C15H18N2O3S/c1-6-7(2)9(4)13-12(8(6)3)16-14(17-13)10(15(19)20)5-11(18)21/h10H,5H2,1-4H3,(H,16,17)(H,18,21)(H,19,20)