[(3R,4S)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4S)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate Openeye Name: [(3R,4S)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-4-(p-tolylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-[(4-methylanilino)-oxomethoxy]butyl] ester IUPAC Name: [(3R,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4S)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-4-(p-tolylcarbamoyloxy)butyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OC(C2=CC(=C(C=C2)OC)O)C(C)CCOC(=O)CS

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)O[C@H](C2=CC(=C(C=C2)OC)O)[C@H](C)CCOC(=O)CS

InChI

InChI=1S/C22H27NO6S/c1-14-4-7-17(8-5-14)23-22(26)29-21(15(2)10-11-28-20(25)13-30)16-6-9-19(27-3)18(24)12-16/h4-9,12,15,21,24,30H,10-11,13H2,1-3H3,(H,23,26)/t15-,21+/m1/s1