[(1R,2R)-1-(4-methoxy-3-oxidanyl-phenyl)-4-oxidanyl-2-phenoxy-butyl] N-(4-methylsulfanylphenyl)carbamate

Systemtic Name: [(1R,2R)-1-(4-methoxy-3-oxidanyl-phenyl)-4-oxidanyl-2-phenoxy-butyl] N-(4-methylsulfanylphenyl)carbamate Openeye Name: [(1R,2R)-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)-2-phenoxy-butyl] N-(4-methylsulfanylphenyl)carbamate CAS Name: N-[4-(methylthio)phenyl]carbamic acid [(1R,2R)-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-phenoxybutyl] ester IUPAC Name: [(1R,2R)-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-phenoxybutyl] N-(4-methylsulfanylphenyl)carbamate Traditional Name: N-[4-(methylthio)phenyl]carbamic acid [(1R,2R)-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)-2-phenoxy-butyl] ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCO)OC2=CC=CC=C2)OC(=O)NC3=CC=C(C=C3)SC)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]([C@@H](CCO)OC2=CC=CC=C2)OC(=O)NC3=CC=C(C=C3)SC)O

InChI

InChI=1S/C25H27NO6S/c1-30-22-13-8-17(16-21(22)28)24(23(14-15-27)31-19-6-4-3-5-7-19)32-25(29)26-18-9-11-20(33-2)12-10-18/h3-13,16,23-24,27-28H,14-15H2,1-2H3,(H,26,29)/t23-,24-/m1/s1