ethyl (1R,2S,3R,4S)-3-isothiocyanatobicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: ethyl (1R,2S,3R,4S)-3-isothiocyanatobicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: ethyl (1R,2S,3R,4S)-3-isothiocyanatobicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: (1R,2S,3R,4S)-3-isothiocyanato-2-bicyclo[2.2.1]hept-5-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,3R,4S)-3-isothiocyanatobicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: (1R,2S,3R,4S)-3-isothiocyanatobicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CC(C1N=C=S)C=C2

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]2C[C@H]([C@H]1N=C=S)C=C2

InChI

InChI=1S/C11H13NO2S/c1-2-14-11(13)9-7-3-4-8(5-7)10(9)12-6-15/h3-4,7-10H,2,5H2,1H3/t7-,8+,9-,10+/m0/s1