[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(4-fluorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-fluorophenyl)-4-methyl-5-thiazolecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-fluorophenyl)-4-methyl-thiazole-5-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)OCC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)OCC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C21H22FN3O3S/c1-14-18(29-19(24-14)15-6-8-16(22)9-7-15)20(27)28-12-17(26)25(2)21(13-23)10-4-3-5-11-21/h6-9H,3-5,10-12H2,1-2H3