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

Systemtic Name: [(3R,4R)-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-[[4-(methylthio)anilino]-oxomethoxy]butyl] ester IUPAC Name: [(3R,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-4-[[4-(methylthio)phenyl]carbamoyloxy]butyl] ester Formula: C22H27NO7S2 MolecularWeight: 481.58228

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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=C(C=C2)SC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S2/c1-27-18-9-4-14(12-17(18)24)21(19(28-2)10-11-29-20(25)13-31)30-22(26)23-15-5-7-16(32-3)8-6-15/h4-9,12,19,21,24,31H,10-11,13H2,1-3H3,(H,23,26)/t19-,21-/m1/s1