2-methylpropyl 3-oxidanyl-2-phenoxy-2-[4-(4-phenyl-1H-imidazol-5-yl)phenyl]sulfanyl-butanoate

Systemtic Name: 2-methylpropyl 3-oxidanyl-2-phenoxy-2-[4-(4-phenyl-1H-imidazol-5-yl)phenyl]sulfanyl-butanoate Openeye Name: isobutyl 3-hydroxy-2-phenoxy-2-[4-(4-phenyl-1H-imidazol-5-yl)phenyl]sulfanyl-butanoate CAS Name: 3-hydroxy-2-phenoxy-2-[[4-(4-phenyl-1H-imidazol-5-yl)phenyl]thio]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-hydroxy-2-phenoxy-2-[4-(4-phenyl-1H-imidazol-5-yl)phenyl]sulfanylbutanoate Traditional Name: 3-hydroxy-2-phenoxy-2-[[4-(4-phenyl-1H-imidazol-5-yl)phenyl]thio]butyric acid isobutyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C(C)O)(OC1=CC=CC=C1)SC2=CC=C(C=C2)C3=C(N=CN3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C(C(C)O)(OC1=CC=CC=C1)SC2=CC=C(C=C2)C3=C(N=CN3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O4S/c1-20(2)18-34-28(33)29(21(3)32,35-24-12-8-5-9-13-24)36-25-16-14-23(15-17-25)27-26(30-19-31-27)22-10-6-4-7-11-22/h4-17,19-21,32H,18H2,1-3H3,(H,30,31)