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

Systemtic Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-ethoxy-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C23H27NO9S MolecularWeight: 493.52678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO[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/C23H27NO9S/c1-3-29-19(8-9-30-21(26)12-34)22(14-4-6-17(28-2)16(25)10-14)33-23(27)24-15-5-7-18-20(11-15)32-13-31-18/h4-7,10-11,19,22,25,34H,3,8-9,12-13H2,1-2H3,(H,24,27)/t19-,22-/m1/s1