S-tert-butyl (2R,3R)-5-(4-methoxyphenyl)-2,3-dimethyl-5-oxidanylidene-pentanethioate

Systemtic Name: S-tert-butyl (2R,3R)-5-(4-methoxyphenyl)-2,3-dimethyl-5-oxidanylidene-pentanethioate Openeye Name: S-tert-butyl (2R,3R)-5-(4-methoxyphenyl)-2,3-dimethyl-5-oxo-pentanethioate CAS Name: (2R,3R)-5-(4-methoxyphenyl)-2,3-dimethyl-5-oxopentanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2R,3R)-5-(4-methoxyphenyl)-2,3-dimethyl-5-oxopentanethioate Traditional Name: (2R,3R)-5-keto-5-(4-methoxyphenyl)-2,3-dimethyl-pentanethioic acid S-tert-butyl ester Formula: C18H26O3S MolecularWeight: 322.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)OC)C(C)C(=O)SC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26O3S/c1-12(13(2)17(20)22-18(3,4)5)11-16(19)14-7-9-15(21-6)10-8-14/h7-10,12-13H,11H2,1-6H3/t12-,13-/m1/s1