4-(1H-benzimidazol-2-ylsulfanyloxy)-3,3-dicyclohexyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-3,3-dicyclohexyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-3,3-dicyclohexyl-4-oxo-butanoic acid CAS Name: 4-(1H-benzimidazol-2-ylthio)oxy-3,3-dicyclohexyl-4-oxobutanoic acid IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-3,3-dicyclohexyl-4-oxobutanoic acid Traditional Name: 4-(1H-benzimidazol-2-ylthio)oxy-3,3-dicyclohexyl-4-keto-butyric acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)(C2CCCCC2)C(=O)OSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)(C2CCCCC2)C(=O)OSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H30N2O4S/c26-20(27)15-23(16-9-3-1-4-10-16,17-11-5-2-6-12-17)21(28)29-30-22-24-18-13-7-8-14-19(18)25-22/h7-8,13-14,16-17H,1-6,9-12,15H2,(H,24,25)(H,26,27)