3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-4-methyl-3-propan-2-yl-pentanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-4-methyl-3-propan-2-yl-pentanoic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-3-isopropyl-4-methyl-pentanoic acid CAS Name: 3-[(1H-benzimidazol-2-ylthio)oxy-oxomethyl]-4-methyl-3-propan-2-ylpentanoic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-4-methyl-3-propan-2-ylpentanoic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)oxycarbonyl-3-isopropyl-4-methyl-valeric acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-10(2)17(11(3)4,9-14(20)21)15(22)23-24-16-18-12-7-5-6-8-13(12)19-16/h5-8,10-11H,9H2,1-4H3,(H,18,19)(H,20,21)