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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3-chlorophenyl)-4-methyl-5-thiazolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

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