methyl (E,5S)-2-ethenyl-7-phenylsulfanyl-5-propan-2-yl-hept-6-enoate

Systemtic Name: methyl (E,5S)-2-ethenyl-7-phenylsulfanyl-5-propan-2-yl-hept-6-enoate Openeye Name: methyl (E,5S)-5-isopropyl-7-phenylsulfanyl-2-vinyl-hept-6-enoate CAS Name: (E,5S)-2-ethenyl-7-(phenylthio)-5-propan-2-yl-6-heptenoic acid methyl ester IUPAC Name: methyl (E,5S)-2-ethenyl-7-phenylsulfanyl-5-propan-2-ylhept-6-enoate Traditional Name: (E,5S)-5-isopropyl-7-(phenylthio)-2-vinyl-hept-6-enoic acid methyl ester Formula: C19H26O2S MolecularWeight: 318.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C=C)C(=O)OC)C=CSC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](CCC(C=C)C(=O)OC)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C19H26O2S/c1-5-16(19(20)21-4)11-12-17(15(2)3)13-14-22-18-9-7-6-8-10-18/h5-10,13-17H,1,11-12H2,2-4H3/b14-13+/t16?,17-/m1/s1