tert-butyl (4S)-4-[(4-fluorophenyl)methyl]-2-(2-phenylphenyl)-5H-1,3-thiazole-4-carboxylate

Systemtic Name: tert-butyl (4S)-4-[(4-fluorophenyl)methyl]-2-(2-phenylphenyl)-5H-1,3-thiazole-4-carboxylate Openeye Name: tert-butyl (4S)-4-[(4-fluorophenyl)methyl]-2-(2-phenylphenyl)-5H-thiazole-4-carboxylate CAS Name: (4S)-4-[(4-fluorophenyl)methyl]-2-(2-phenylphenyl)-5H-thiazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(4-fluorophenyl)methyl]-2-(2-phenylphenyl)-5H-1,3-thiazole-4-carboxylate Traditional Name: (4S)-4-(4-fluorobenzyl)-2-(2-phenylphenyl)-2-thiazoline-4-carboxylic acid tert-butyl ester Formula: C27H26FNO2S MolecularWeight: 447.564243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CSC(=N1)C2=CC=CC=C2C3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)[C@]1(CSC(=N1)C2=CC=CC=C2C3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H26FNO2S/c1-26(2,3)31-25(30)27(17-19-13-15-21(28)16-14-19)18-32-24(29-27)23-12-8-7-11-22(23)20-9-5-4-6-10-20/h4-16H,17-18H2,1-3H3/t27-/m1/s1