(phenylmethyl) (2R,3E)-3-cyclohept-2-en-1-ylidene-2-methyl-2-propanoylsulfanyl-propanoate

Systemtic Name: (phenylmethyl) (2R,3E)-3-cyclohept-2-en-1-ylidene-2-methyl-2-propanoylsulfanyl-propanoate Openeye Name: benzyl (2R,3E)-3-cyclohept-2-en-1-ylidene-2-methyl-2-propanoylsulfanyl-propanoate CAS Name: (2R,3E)-3-(1-cyclohept-2-enylidene)-2-methyl-2-(1-oxopropylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3E)-3-cyclohept-2-en-1-ylidene-2-methyl-2-propanoylsulfanylpropanoate Traditional Name: (2R,3E)-3-cyclohept-2-en-1-ylidene-2-methyl-2-(propionylthio)propionic acid benzyl ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(C)(C=C1CCCCC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3S/c1-3-19(22)25-21(2,15-17-11-7-4-5-8-12-17)20(23)24-16-18-13-9-6-10-14-18/h6-7,9-11,13-15H,3-5,8,12,16H2,1-2H3/b17-15-/t21-/m1/s1