3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-3-tert-butyl-4,4-dimethyl-pentanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-3-tert-butyl-4,4-dimethyl-pentanoic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-3-tert-butyl-4,4-dimethyl-pentanoic acid CAS Name: 3-[(1H-benzimidazol-2-ylthio)oxy-oxomethyl]-3-tert-butyl-4,4-dimethylpentanoic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-3-tert-butyl-4,4-dimethylpentanoic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)oxycarbonyl-3-tert-butyl-4,4-dimethyl-valeric acid Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)O)(C(=O)OSC1=NC2=CC=CC=C2N1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(CC(=O)O)(C(=O)OSC1=NC2=CC=CC=C2N1)C(C)(C)C

InChI

InChI=1S/C19H26N2O4S/c1-17(2,3)19(11-14(22)23,18(4,5)6)15(24)25-26-16-20-12-9-7-8-10-13(12)21-16/h7-10H,11H2,1-6H3,(H,20,21)(H,22,23)