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

Systemtic Name: [(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoroanilino)-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-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)O[C@@H](C)C(=O)NC2=CC(=CC=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C20H17FN2O3S/c1-12(19(24)23-16-10-6-9-15(21)11-16)26-20(25)18-17(22-13(2)27-18)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,23,24)/t12-/m0/s1