(4-butyl-6-cyano-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl) phenoxysulfanylmethanoate

Systemtic Name: (4-butyl-6-cyano-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl) phenoxysulfanylmethanoate Openeye Name: (4-butyl-6-cyano-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl) phenoxysulfanylformate CAS Name: (phenoxythio)formic acid (4-butyl-6-cyano-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl) ester IUPAC Name: (4-butyl-6-cyano-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl) phenoxysulfanylformate Traditional Name: (phenoxythio)formic acid (4-butyl-6-cyano-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl) ester Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(C2CC(C1N2C)C#N)OC(=O)SOC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1C(C(C2CC(C1N2C)C#N)OC(=O)SOC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3S/c1-3-4-15-21-23(18-11-7-5-8-12-18)25(22-16-19(17-27)24(21)28(22)2)30-26(29)32-31-20-13-9-6-10-14-20/h5-14,19,21-25H,3-4,15-16H2,1-2H3