[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-methyl-2-phenyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-phenyl-5-thiazolecarboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-phenyl-thiazole-5-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-14-17(28-19(23-14)16-9-5-3-6-10-16)20(26)27-15(2)18(25)24-21(13-22)11-7-4-8-12-21/h3,5-6,9-10,15H,4,7-8,11-12H2,1-2H3,(H,24,25)