[5-(2-phenylethynyl)thiophen-2-yl]methyl 4-tert-butylbenzoate

Systemtic Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 4-tert-butylbenzoate Openeye Name: [5-(2-phenylethynyl)-2-thienyl]methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [5-(2-phenylethynyl)-2-thiophenyl]methyl ester IUPAC Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [5-(2-phenylethynyl)-2-thienyl]methyl ester Formula: C24H22O2S MolecularWeight: 374.49528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC=C(S2)C#CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC=C(S2)C#CC3=CC=CC=C3

InChI

InChI=1S/C24H22O2S/c1-24(2,3)20-12-10-19(11-13-20)23(25)26-17-22-16-15-21(27-22)14-9-18-7-5-4-6-8-18/h4-8,10-13,15-16H,17H2,1-3H3