(4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-[(2E)-2-phenylmethoxyiminoethyl]-1-pyridin-3-yl-cyclohexane-1-carboximidothioate

Systemtic Name: (4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-[(2E)-2-phenylmethoxyiminoethyl]-1-pyridin-3-yl-cyclohexane-1-carboximidothioate Openeye Name: (4-methoxyphenyl)methyl (1S,2R)-2-[(2E)-2-benzyloxyiminoethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarboximidothioate CAS Name: (1S,2R)-N-methyl-2-[(2E)-2-phenylmethoxyiminoethyl]-1-(3-pyridinyl)-1-cyclohexanecarboximidothioic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-[(2E)-2-phenylmethoxyiminoethyl]-1-pyridin-3-ylcyclohexane-1-carboximidothioate Traditional Name: (1S,2R)-2-[(2E)-2-benzyloximinoethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarboximidothioic acid p-anisyl ester Formula: C30H35N3O2S MolecularWeight: 501.6828

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1(CCCCC1CC=NOCC2=CC=CC=C2)C3=CN=CC=C3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN=C([C@]1(CCCC[C@@H]1C/C=N/OCC2=CC=CC=C2)C3=CN=CC=C3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C30H35N3O2S/c1-31-29(36-23-25-13-15-28(34-2)16-14-25)30(27-12-8-19-32-21-27)18-7-6-11-26(30)17-20-33-35-22-24-9-4-3-5-10-24/h3-5,8-10,12-16,19-21,26H,6-7,11,17-18,22-23H2,1-2H3/b31-29?,33-20+/t26-,30+/m1/s1