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

Systemtic Name: tert-butyl (4S)-4-[(4-cyanophenyl)methyl]-2-(2-phenylphenyl)-5H-1,3-thiazole-4-carboxylate Openeye Name: tert-butyl (4S)-4-[(4-cyanophenyl)methyl]-2-(2-phenylphenyl)-5H-thiazole-4-carboxylate CAS Name: (4S)-4-[(4-cyanophenyl)methyl]-2-(2-phenylphenyl)-5H-thiazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(4-cyanophenyl)methyl]-2-(2-phenylphenyl)-5H-1,3-thiazole-4-carboxylate Traditional Name: (4S)-4-(4-cyanobenzyl)-2-(2-phenylphenyl)-2-thiazoline-4-carboxylic acid tert-butyl ester Formula: C28H26N2O2S MolecularWeight: 454.58324

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O2S/c1-27(2,3)32-26(31)28(17-20-13-15-21(18-29)16-14-20)19-33-25(30-28)24-12-8-7-11-23(24)22-9-5-4-6-10-22/h4-16H,17,19H2,1-3H3/t28-/m1/s1