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

Systemtic Name: [(4R)-4-(4-methoxy-3-oxidanyl-phenyl)-4-(phenylcarbonylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-(benzoylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-[benzamido(oxo)methoxy]-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(4R)-4-(benzoylcarbamoyloxy)-4-(3-hydroxy-4-methoxyphenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-(benzoylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCOC(=O)CS)OC(=O)NC(=O)C2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CCCOC(=O)CS)OC(=O)NC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C21H23NO7S/c1-27-18-10-9-15(12-16(18)23)17(8-5-11-28-19(24)13-30)29-21(26)22-20(25)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,23,30H,5,8,11,13H2,1H3,(H,22,25,26)/t17-/m1/s1