methyl (5S)-5-cyano-6-[(R)-(4-methylphenyl)sulfinyl]-5-oxidanyl-hexanoate

Systemtic Name: methyl (5S)-5-cyano-6-[(R)-(4-methylphenyl)sulfinyl]-5-oxidanyl-hexanoate Openeye Name: methyl (5S)-5-cyano-5-hydroxy-6-[(R)-p-tolylsulfinyl]hexanoate CAS Name: (5S)-5-cyano-5-hydroxy-6-[(R)-(4-methylphenyl)sulfinyl]hexanoic acid methyl ester IUPAC Name: methyl (5S)-5-cyano-5-hydroxy-6-[(R)-(4-methylphenyl)sulfinyl]hexanoate Traditional Name: (5S)-5-cyano-5-hydroxy-6-[(R)-p-tolylsulfinyl]hexanoic acid methyl ester Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(CCCC(=O)OC)(C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)C[C@](CCCC(=O)OC)(C#N)O

InChI

InChI=1S/C15H19NO4S/c1-12-5-7-13(8-6-12)21(19)11-15(18,10-16)9-3-4-14(17)20-2/h5-8,18H,3-4,9,11H2,1-2H3/t15-,21+/m0/s1