[(3R,4R)-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4R)-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[anilino(oxo)methoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methoxybutyl] ester IUPAC Name: [(3R,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-4-(phenylcarbamoyloxy)butyl] ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCOC(=O)CS)OC)OC(=O)NC2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]([C@@H](CCOC(=O)CS)OC)OC(=O)NC2=CC=CC=C2)O

InChI

InChI=1S/C21H25NO7S/c1-26-17-9-8-14(12-16(17)23)20(18(27-2)10-11-28-19(24)13-30)29-21(25)22-15-6-4-3-5-7-15/h3-9,12,18,20,23,30H,10-11,13H2,1-2H3,(H,22,25)/t18-,20-/m1/s1