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

Systemtic Name: [(3S,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-4-(phenylcarbonylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4R)-4-(benzoylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4R)-4-[benzamido(oxo)methoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] ester IUPAC Name: [(3S,4R)-4-(benzoylcarbamoyloxy)-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4R)-4-(benzoylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)CS)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7S/c1-14(10-11-29-19(25)13-31)20(16-8-9-18(28-2)17(24)12-16)30-22(27)23-21(26)15-6-4-3-5-7-15/h3-9,12,14,20,24,31H,10-11,13H2,1-2H3,(H,23,26,27)/t14-,20+/m0/s1