methyl (3'R,4'R)-3'-cyano-4'-(4-nitrophenyl)spiro[adamantane-2,2'-thiolane]-3'-carboxylate

Systemtic Name: methyl (3'R,4'R)-3'-cyano-4'-(4-nitrophenyl)spiro[adamantane-2,2'-thiolane]-3'-carboxylate Openeye Name: methyl (3'R,4'R)-3'-cyano-4'-(4-nitrophenyl)spiro[adamantane-2,2'-tetrahydrothiophene]-3'-carboxylate CAS Name: (3'R,4'R)-3'-cyano-4'-(4-nitrophenyl)-3'-spiro[adamantane-2,2'-thiolane]carboxylic acid methyl ester IUPAC Name: methyl (3'R,4'R)-3'-cyano-4'-(4-nitrophenyl)spiro[adamantane-2,2'-thiolane]-3'-carboxylate Traditional Name: (3'R,4'R)-3'-cyano-4'-(4-nitrophenyl)spiro[adamantane-2,2'-tetrahydrothiophene]-3'-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CSC12C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)[C@@]1([C@H](CSC12C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H24N2O4S/c1-28-20(25)21(12-23)19(15-2-4-18(5-3-15)24(26)27)11-29-22(21)16-7-13-6-14(9-16)10-17(22)8-13/h2-5,13-14,16-17,19H,6-11H2,1H3/t13?,14?,16?,17?,19-,21+,22?/m1/s1