(4-isothiocyanatophenyl)methyl 8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: (4-isothiocyanatophenyl)methyl 8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: (4-isothiocyanatophenyl)methyl 8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid (4-isothiocyanatophenyl)methyl ester IUPAC Name: (4-isothiocyanatophenyl)methyl 8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid (4-isothiocyanatobenzyl) ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC(C1CC2)C(=O)OCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CN1C2CCC(C1CC2)C(=O)OCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C17H20N2O2S/c1-19-14-6-8-15(16(19)9-7-14)17(20)21-10-12-2-4-13(5-3-12)18-11-22/h2-5,14-16H,6-10H2,1H3