[(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-methoxy-3-oxidanyl-phenyl)-3,3-dimethyl-butyl] 2-sulfanylethanoate

Systemtic Name: [(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-methoxy-3-oxidanyl-phenyl)-3,3-dimethyl-butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-butyl] ester Formula: C23H27NO8S MolecularWeight: 477.52738

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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=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(CCOC(=O)CS)[C@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H27NO8S/c1-23(2,8-9-29-20(26)12-33)21(14-4-6-17(28-3)16(25)10-14)32-22(27)24-15-5-7-18-19(11-15)31-13-30-18/h4-7,10-11,21,25,33H,8-9,12-13H2,1-3H3,(H,24,27)/t21-/m0/s1