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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O3S/c1-20(24-14-8-13-21,15-17-9-4-2-5-10-17)19(22)23-16-18-11-6-3-7-12-18/h3-4,6-7,9,11-13,15H,2,5,8,10,14,16H2,1H3/b17-15-/t20-/m0/s1