(phenylmethyl) (E,2S)-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-hept-3-enoate

Systemtic Name: (phenylmethyl) (E,2S)-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-hept-3-enoate Openeye Name: benzyl (E,2S)-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-hept-3-enoate CAS Name: (E,2S)-2-(3,3-dimethoxypropylthio)-2-methyl-3-heptenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-(3,3-dimethoxypropylsulfanyl)-2-methylhept-3-enoate Traditional Name: (E,2S)-2-(3,3-dimethoxypropylthio)-2-methyl-hept-3-enoic acid benzyl ester Formula: C20H30O4S MolecularWeight: 366.5148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O4S/c1-5-6-10-14-20(2,25-15-13-18(22-3)23-4)19(21)24-16-17-11-8-7-9-12-17/h7-12,14,18H,5-6,13,15-16H2,1-4H3/b14-10+/t20-/m0/s1