(phenylmethyl) (2S,3E)-3-cyclohex-2-en-1-ylidene-2-methyl-2-propanoylsulfanyl-propanoate

Systemtic Name: (phenylmethyl) (2S,3E)-3-cyclohex-2-en-1-ylidene-2-methyl-2-propanoylsulfanyl-propanoate Openeye Name: benzyl (2S,3E)-3-cyclohex-2-en-1-ylidene-2-methyl-2-propanoylsulfanyl-propanoate CAS Name: (2S,3E)-3-(1-cyclohex-2-enylidene)-2-methyl-2-(1-oxopropylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3E)-3-cyclohex-2-en-1-ylidene-2-methyl-2-propanoylsulfanylpropanoate Traditional Name: (2S,3E)-3-cyclohex-2-en-1-ylidene-2-methyl-2-(propionylthio)propionic acid benzyl ester Formula: C20H24O3S MolecularWeight: 344.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(C)(C=C1CCCC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)S[C@@](C)(/C=C/1\CCCC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H24O3S/c1-3-18(21)24-20(2,14-16-10-6-4-7-11-16)19(22)23-15-17-12-8-5-9-13-17/h5-6,8-10,12-14H,3-4,7,11,15H2,1-2H3/b16-14-/t20-/m0/s1