trimethyl (1S,2R)-1-[(4-methoxyphenyl)methylsulfanyl]-2-oxidanyl-propane-1,2,3-tricarboxylate

Systemtic Name: trimethyl (1S,2R)-1-[(4-methoxyphenyl)methylsulfanyl]-2-oxidanyl-propane-1,2,3-tricarboxylate Openeye Name: trimethyl (1S,2R)-2-hydroxy-1-[(4-methoxyphenyl)methylsulfanyl]propane-1,2,3-tricarboxylate CAS Name: (1S,2R)-2-hydroxy-1-[(4-methoxyphenyl)methylthio]propane-1,2,3-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1S,2R)-2-hydroxy-1-[(4-methoxyphenyl)methylsulfanyl]propane-1,2,3-tricarboxylate Traditional Name: (1S,2R)-2-hydroxy-1-(p-anisylthio)propane-1,2,3-tricarboxylic acid trimethyl ester Formula: C17H22O8S MolecularWeight: 386.41678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(C(=O)OC)C(CC(=O)OC)(C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C17H22O8S/c1-22-12-7-5-11(6-8-12)10-26-14(15(19)24-3)17(21,16(20)25-4)9-13(18)23-2/h5-8,14,21H,9-10H2,1-4H3/t14-,17+/m1/s1