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

Systemtic Name: [(3S,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4R)-4-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] ester IUPAC Name: [(3S,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] ester Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)CS)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO8S/c1-13(7-8-28-20(25)11-32)21(14-3-5-17(27-2)16(24)9-14)31-22(26)23-15-4-6-18-19(10-15)30-12-29-18/h3-6,9-10,13,21,24,32H,7-8,11-12H2,1-2H3,(H,23,26)/t13-,21+/m0/s1