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

Systemtic Name: [(4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3,3-dimethyl-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethyl-4-[[4-(methylthio)anilino]-oxomethoxy]butyl] ester IUPAC Name: [(4R)-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethyl-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-4-[[4-(methylthio)phenyl]carbamoyloxy]butyl] ester Formula: C23H29NO6S2 MolecularWeight: 479.60946

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6S2/c1-23(2,11-12-29-20(26)14-31)21(15-5-10-19(28-3)18(25)13-15)30-22(27)24-16-6-8-17(32-4)9-7-16/h5-10,13,21,25,31H,11-12,14H2,1-4H3,(H,24,27)/t21-/m0/s1