O-[(1R,2R,6R)-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] imidazole-1-carbothioate

Systemtic Name: O-[(1R,2R,6R)-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] imidazole-1-carbothioate Openeye Name: O-[(1R,2R,6R)-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[(1R,2R,6R)-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] ester IUPAC Name: O-[(1R,2R,6R)-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[(1R,2R,6R)-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2C(C1)(O2)C3=CC=CC=C3)OC(=S)N4C=CN=C4

Isomeric SMILES

C1C[C@H]([C@@H]2[C@](C1)(O2)C3=CC=CC=C3)OC(=S)N4C=CN=C4

InChI

InChI=1S/C16H16N2O2S/c21-15(18-10-9-17-11-18)19-13-7-4-8-16(14(13)20-16)12-5-2-1-3-6-12/h1-3,5-6,9-11,13-14H,4,7-8H2/t13-,14-,16-/m1/s1