(phenylmethyl) (2R,3E)-3-cyclohex-2-en-1-ylidene-2-ethanoylsulfanyl-2-methyl-propanoate

Systemtic Name: (phenylmethyl) (2R,3E)-3-cyclohex-2-en-1-ylidene-2-ethanoylsulfanyl-2-methyl-propanoate Openeye Name: benzyl (2R,3E)-2-acetylsulfanyl-3-cyclohex-2-en-1-ylidene-2-methyl-propanoate CAS Name: (2R,3E)-2-(acetylthio)-3-(1-cyclohex-2-enylidene)-2-methylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3E)-2-acetylsulfanyl-3-cyclohex-2-en-1-ylidene-2-methylpropanoate Traditional Name: (2R,3E)-2-(acetylthio)-3-cyclohex-2-en-1-ylidene-2-methyl-propionic acid benzyl ester Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O3S/c1-15(20)23-19(2,13-16-9-5-3-6-10-16)18(21)22-14-17-11-7-4-8-12-17/h4-5,7-9,11-13H,3,6,10,14H2,1-2H3/b16-13-/t19-/m1/s1