[(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)-3,3-dimethyl-butyl] 2-sulfanylethanoate

Systemtic Name: [(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)-3,3-dimethyl-butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-[(4-bromoanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-butyl] ester Formula: C22H26BrNO6S MolecularWeight: 512.41394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC(=O)CS)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(CCOC(=O)CS)[C@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H26BrNO6S/c1-22(2,10-11-29-19(26)13-31)20(14-4-9-18(28-3)17(25)12-14)30-21(27)24-16-7-5-15(23)6-8-16/h4-9,12,20,25,31H,10-11,13H2,1-3H3,(H,24,27)/t20-/m0/s1