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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(3-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-4-thiazolecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)thiazole-4-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CSC(=N1)C2=CC(=CC=C2)Cl)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CSC(=N1)C2=CC(=CC=C2)Cl)C3(CCCCC3)C#N

InChI

InChI=1S/C20H20ClN3O3S/c1-24(20(13-22)8-3-2-4-9-20)17(25)11-27-19(26)16-12-28-18(23-16)14-6-5-7-15(21)10-14/h5-7,10,12H,2-4,8-9,11H2,1H3