(phenylmethyl) (E,2R)-2-methyl-2-(3-oxidanylidenepropylsulfanyl)hex-3-enoate

Systemtic Name: (phenylmethyl) (E,2R)-2-methyl-2-(3-oxidanylidenepropylsulfanyl)hex-3-enoate Openeye Name: benzyl (E,2R)-2-methyl-2-(3-oxopropylsulfanyl)hex-3-enoate CAS Name: (E,2R)-2-methyl-2-(3-oxopropylthio)-3-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2R)-2-methyl-2-(3-oxopropylsulfanyl)hex-3-enoate Traditional Name: (E,2R)-2-(3-ketopropylthio)-2-methyl-hex-3-enoic acid benzyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(C)(C(=O)OCC1=CC=CC=C1)SCCC=O

Isomeric SMILES

CC/C=C/[C@](C)(C(=O)OCC1=CC=CC=C1)SCCC=O

InChI

InChI=1S/C17H22O3S/c1-3-4-11-17(2,21-13-8-12-18)16(19)20-14-15-9-6-5-7-10-15/h4-7,9-12H,3,8,13-14H2,1-2H3/b11-4+/t17-/m1/s1