[(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3,3-dimethyl-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate

Systemtic Name: [(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3,3-dimethyl-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxynaphthalen-1-yl)-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-butyl] ester Formula: C26H27NO7S MolecularWeight: 497.56008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC(=O)CS)C(C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(CCOC(=O)CS)[C@H](C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H27NO7S/c1-26(2,11-12-31-23(29)14-35)24(19-8-9-20(28)18-6-4-3-5-17(18)19)34-25(30)27-16-7-10-21-22(13-16)33-15-32-21/h3-10,13,24,28,35H,11-12,14-15H2,1-2H3,(H,27,30)/t24-/m0/s1