(4-cyanophenyl)methyl (1'S,5'R)-spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxylate

Systemtic Name: (4-cyanophenyl)methyl (1'S,5'R)-spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxylate Openeye Name: (4-cyanophenyl)methyl (1'S,5'R)-spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxylate CAS Name: (1'S,5'R)-3'-spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (1'S,5'R)-spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxylate Traditional Name: (1'S,5'R)-spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxylic acid (4-cyanobenzyl) ester Formula: C20H23NO2S2 MolecularWeight: 373.53212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C23SCCS3)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@@H]2CC(C[C@H](C1)C23SCCS3)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H23NO2S2/c21-12-14-4-6-15(7-5-14)13-23-19(22)16-10-17-2-1-3-18(11-16)20(17)24-8-9-25-20/h4-7,16-18H,1-3,8-11,13H2/t16?,17-,18+