[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3

InChI

InChI=1S/C22H25FN2O3S/c1-29-21-19(8-5-13-24-21)22(27)28-15-20(26)25(18-6-3-2-4-7-18)14-16-9-11-17(23)12-10-16/h5,8-13,18H,2-4,6-7,14-15H2,1H3