(phenylmethyl) (E,2R)-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-oct-3-enoate

Systemtic Name: (phenylmethyl) (E,2R)-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-oct-3-enoate Openeye Name: benzyl (E,2R)-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-oct-3-enoate CAS Name: (E,2R)-2-(3,3-dimethoxypropylthio)-2-methyl-3-octenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2R)-2-(3,3-dimethoxypropylsulfanyl)-2-methyloct-3-enoate Traditional Name: (E,2R)-2-(3,3-dimethoxypropylthio)-2-methyl-oct-3-enoic acid benzyl ester Formula: C21H32O4S MolecularWeight: 380.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(C)(C(=O)OCC1=CC=CC=C1)SCCC(OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4S/c1-5-6-7-11-15-21(2,26-16-14-19(23-3)24-4)20(22)25-17-18-12-9-8-10-13-18/h8-13,15,19H,5-7,14,16-17H2,1-4H3/b15-11+/t21-/m1/s1