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

Systemtic Name: [(2R,3S)-6-methyl-3-(4-methylphenyl)sulfanyl-hept-5-en-2-yl] benzoate Openeye Name: [(1R,2S)-1,5-dimethyl-2-(p-tolylsulfanyl)hex-4-enyl] benzoate CAS Name: benzoic acid [(2R,3S)-6-methyl-3-[(4-methylphenyl)thio]hept-5-en-2-yl] ester IUPAC Name: [(2R,3S)-6-methyl-3-(4-methylphenyl)sulfanylhept-5-en-2-yl] benzoate Traditional Name: benzoic acid [(1R,2S)-1,5-dimethyl-2-(p-tolylthio)hex-4-enyl] ester Formula: C22H26O2S MolecularWeight: 354.50564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O2S/c1-16(2)10-15-21(25-20-13-11-17(3)12-14-20)18(4)24-22(23)19-8-6-5-7-9-19/h5-14,18,21H,15H2,1-4H3/t18-,21+/m1/s1