2,6-ditert-butyl-4-(phenylmethyl)-7-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-benzoxazol-5-ol

Systemtic Name: 2,6-ditert-butyl-4-(phenylmethyl)-7-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-benzoxazol-5-ol Openeye Name: 4-benzyl-2,6-ditert-butyl-7-(2-thiazol-2-ylethynyl)-1,3-benzoxazol-5-ol CAS Name: 2,6-ditert-butyl-4-(phenylmethyl)-7-[2-(2-thiazolyl)ethynyl]-1,3-benzoxazol-5-ol IUPAC Name: 4-benzyl-2,6-ditert-butyl-7-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-benzoxazol-5-ol Traditional Name: 4-benzyl-2,6-ditert-butyl-7-(2-thiazol-2-ylethynyl)-1,3-benzoxazol-5-ol Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C(=C1O)CC3=CC=CC=C3)N=C(O2)C(C)(C)C)C#CC4=NC=CS4

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C(=C1O)CC3=CC=CC=C3)N=C(O2)C(C)(C)C)C#CC4=NC=CS4

InChI

InChI=1S/C27H28N2O2S/c1-26(2,3)21-18(12-13-20-28-14-15-32-20)24-22(29-25(31-24)27(4,5)6)19(23(21)30)16-17-10-8-7-9-11-17/h7-11,14-15,30H,16H2,1-6H3