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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CSC(=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CSC(=N2)C3=CC(=CC=C3)Cl

InChI

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