(phenylmethyl) (2S,3R)-3-methyl-2-prop-2-enylsulfanyl-pent-4-enoate

Systemtic Name: (phenylmethyl) (2S,3R)-3-methyl-2-prop-2-enylsulfanyl-pent-4-enoate Openeye Name: benzyl (2S,3R)-2-allylsulfanyl-3-methyl-pent-4-enoate CAS Name: (2S,3R)-3-methyl-2-(prop-2-enylthio)-4-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-methyl-2-prop-2-enylsulfanylpent-4-enoate Traditional Name: (2S,3R)-2-(allylthio)-3-methyl-pent-4-enoic acid benzyl ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(C(=O)OCC1=CC=CC=C1)SCC=C

Isomeric SMILES

C[C@H](C=C)[C@@H](C(=O)OCC1=CC=CC=C1)SCC=C

InChI

InChI=1S/C16H20O2S/c1-4-11-19-15(13(3)5-2)16(17)18-12-14-9-7-6-8-10-14/h4-10,13,15H,1-2,11-12H2,3H3/t13-,15+/m1/s1