ethyl (1S,4S,5R)-5-phenylsulfanylbicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: ethyl (1S,4S,5R)-5-phenylsulfanylbicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: ethyl (1S,4S,5R)-5-phenylsulfanylbicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: (1S,4S,5R)-5-(phenylthio)-5-bicyclo[2.2.1]hept-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,4S,5R)-5-phenylsulfanylbicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: (1S,4S,5R)-5-(phenylthio)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid ethyl ester Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2CC1C=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(C[C@@H]2C[C@H]1C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C16H18O2S/c1-2-18-15(17)16(11-12-8-9-13(16)10-12)19-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3/t12-,13+,16+/m0/s1