methyl (2S,3R)-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methyl-3-oxidanyl-propanoate

Systemtic Name: methyl (2S,3R)-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methyl-3-oxidanyl-propanoate Openeye Name: methyl (2S,3R)-3-hydroxy-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methyl-propanoate CAS Name: (2S,3R)-3-hydroxy-3-[1-[(4-methoxyphenyl)thio]cyclohexyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-hydroxy-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methylpropanoate Traditional Name: (2S,3R)-3-hydroxy-3-[1-[(4-methoxyphenyl)thio]cyclohexyl]-2-methyl-propionic acid methyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1(CCCCC1)SC2=CC=C(C=C2)OC)O)C(=O)OC

Isomeric SMILES

C[C@@H]([C@H](C1(CCCCC1)SC2=CC=C(C=C2)OC)O)C(=O)OC

InChI

InChI=1S/C18H26O4S/c1-13(17(20)22-3)16(19)18(11-5-4-6-12-18)23-15-9-7-14(21-2)8-10-15/h7-10,13,16,19H,4-6,11-12H2,1-3H3/t13-,16+/m0/s1