ethyl 6-(phenylmethylsulfanyl)cyclohexene-1-carboxylate

Systemtic Name: ethyl 6-(phenylmethylsulfanyl)cyclohexene-1-carboxylate Openeye Name: ethyl 6-benzylsulfanylcyclohexene-1-carboxylate CAS Name: 6-(phenylmethylthio)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzylsulfanylcyclohexene-1-carboxylate Traditional Name: 6-(benzylthio)cyclohexene-1-carboxylic acid ethyl ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCC1SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CCCCC1SCC2=CC=CC=C2

InChI

InChI=1S/C16H20O2S/c1-2-18-16(17)14-10-6-7-11-15(14)19-12-13-8-4-3-5-9-13/h3-5,8-10,15H,2,6-7,11-12H2,1H3