S-phenyl (1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene-2-carbothioate

Systemtic Name: S-phenyl (1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene-2-carbothioate Openeye Name: S-phenyl (1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene-2-carbothioate CAS Name: (1R,5S)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl (1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene-2-carbothioate Traditional Name: (1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene-2-carbothioic acid S-phenyl ester Formula: C17H20OS MolecularWeight: 272.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C2CC1C2(C)C)C(=O)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC([C@H]2C[C@@H]1C2(C)C)C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C17H20OS/c1-11-9-13(15-10-14(11)17(15,2)3)16(18)19-12-7-5-4-6-8-12/h4-9,13-15H,10H2,1-3H3/t13?,14-,15+/m0/s1