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

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-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-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O3S/c1-13(20(25)24-17-11-7-6-10-16(17)12-22)27-21(26)19-18(23-14(2)28-19)15-8-4-3-5-9-15/h3-11,13H,1-2H3,(H,24,25)/t13-/m0/s1