S-butan-2-yl (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbothioate

Systemtic Name: S-butan-2-yl (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbothioate Openeye Name: S-sec-butyl (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbothioate CAS Name: (1R,5S)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enecarbothioic acid S-butan-2-yl ester IUPAC Name: S-butan-2-yl (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbothioate Traditional Name: (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbothioic acid S-sec-butyl ester Formula: C14H22OS MolecularWeight: 238.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC(=O)C1=CCC2CC1C2(C)C

Isomeric SMILES

CCC(C)SC(=O)C1=CC[C@@H]2C[C@H]1C2(C)C

InChI

InChI=1S/C14H22OS/c1-5-9(2)16-13(15)11-7-6-10-8-12(11)14(10,3)4/h7,9-10,12H,5-6,8H2,1-4H3/t9?,10-,12-/m1/s1