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

Systemtic Name: [(3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[anilino(oxo)methoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] ester IUPAC Name: [(3R,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-4-(phenylcarbamoyloxy)butyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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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=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-14(10-11-27-19(24)13-29)20(15-8-9-18(26-2)17(23)12-15)28-21(25)22-16-6-4-3-5-7-16/h3-9,12,14,20,23,29H,10-11,13H2,1-2H3,(H,22,25)/t14-,20-/m1/s1