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

Systemtic Name: [(4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3,3-dimethyl-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-[anilino(oxo)methoxy]-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4R)-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethyl-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-4-(phenylcarbamoyloxy)butyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-22(2,11-12-28-19(25)14-30)20(15-9-10-18(27-3)17(24)13-15)29-21(26)23-16-7-5-4-6-8-16/h4-10,13,20,24,30H,11-12,14H2,1-3H3,(H,23,26)/t20-/m0/s1