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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C1CCCCC=C1)(C(=O)OCC2=CC=CC=C2)SCCC=O

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3S/c1-21(25-15-9-14-22,16-18-10-5-2-3-6-11-18)20(23)24-17-19-12-7-4-8-13-19/h4-5,7-8,10,12-14,16H,2-3,6,9,11,15,17H2,1H3/b18-16-/t21-/m0/s1