[(2S,3S)-6-methyl-3-(4-methylphenyl)sulfanyl-hept-5-en-2-yl] (2R)-2-phenylpropanoate

Systemtic Name: [(2S,3S)-6-methyl-3-(4-methylphenyl)sulfanyl-hept-5-en-2-yl] (2R)-2-phenylpropanoate Openeye Name: [(1S,2S)-1,5-dimethyl-2-(p-tolylsulfanyl)hex-4-enyl] (2R)-2-phenylpropanoate CAS Name: (2R)-2-phenylpropanoic acid [(2S,3S)-6-methyl-3-[(4-methylphenyl)thio]hept-5-en-2-yl] ester IUPAC Name: [(2S,3S)-6-methyl-3-(4-methylphenyl)sulfanylhept-5-en-2-yl] (2R)-2-phenylpropanoate Traditional Name: (2R)-2-phenylpropionic acid [(1S,2S)-1,5-dimethyl-2-(p-tolylthio)hex-4-enyl] ester Formula: C24H30O2S MolecularWeight: 382.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CC=C(C)C)C(C)OC(=O)C(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](CC=C(C)C)[C@H](C)OC(=O)[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C24H30O2S/c1-17(2)11-16-23(27-22-14-12-18(3)13-15-22)20(5)26-24(25)19(4)21-9-7-6-8-10-21/h6-15,19-20,23H,16H2,1-5H3/t19-,20+,23+/m1/s1