5-[5,6-dimethyl-1-[(8-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanyl-3,3-dimethyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5,6-dimethyl-1-[(8-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanyl-3,3-dimethyl-4-oxidanylidene-pentanoic acid Openeye Name: 5-[5,6-dimethyl-1-[(8-methyl-1-naphthyl)methyl]benzimidazol-2-yl]sulfanyl-3,3-dimethyl-4-oxo-pentanoic acid CAS Name: 5-[[5,6-dimethyl-1-[(8-methyl-1-naphthalenyl)methyl]-2-benzimidazolyl]thio]-3,3-dimethyl-4-oxopentanoic acid IUPAC Name: 5-[5,6-dimethyl-1-[(8-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanyl-3,3-dimethyl-4-oxopentanoic acid Traditional Name: 5-[[5,6-dimethyl-1-[(8-methyl-1-naphthyl)methyl]benzimidazol-2-yl]thio]-4-keto-3,3-dimethyl-valeric acid Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=CC=C2)CN3C4=C(C=C(C(=C4)C)C)N=C3SCC(=O)C(C)(C)CC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1C(=CC=C2)CN3C4=C(C=C(C(=C4)C)C)N=C3SCC(=O)C(C)(C)CC(=O)O

InChI

InChI=1S/C28H30N2O3S/c1-17-8-6-9-20-10-7-11-21(26(17)20)15-30-23-13-19(3)18(2)12-22(23)29-27(30)34-16-24(31)28(4,5)14-25(32)33/h6-13H,14-16H2,1-5H3,(H,32,33)