3,3-dimethyl-5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3,3-dimethyl-5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanyl-4-oxidanylidene-pentanoic acid Openeye Name: 3,3-dimethyl-5-[1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanyl-4-oxo-pentanoic acid CAS Name: 3,3-dimethyl-5-[[1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]-4-oxopentanoic acid IUPAC Name: 3,3-dimethyl-5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanyl-4-oxopentanoic acid Traditional Name: 4-keto-3,3-dimethyl-5-[[1-(1-naphthylmethyl)benzimidazol-2-yl]thio]valeric acid Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)C(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(CC(=O)O)C(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H24N2O3S/c1-25(2,14-23(29)30)22(28)16-31-24-26-20-12-5-6-13-21(20)27(24)15-18-10-7-9-17-8-3-4-11-19(17)18/h3-13H,14-16H2,1-2H3,(H,29,30)