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

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [(1S)-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=NC(=C(S1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)O[C@@H](C)C(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-14(19(25)24-21(13-22)11-7-4-8-12-21)27-20(26)18-17(23-15(2)28-18)16-9-5-3-6-10-16/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3,(H,24,25)/t14-/m0/s1