(4-phenylphenyl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (4-phenylphenyl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (4-phenylphenyl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (4-phenylbenzyl) ester Formula: C22H20O3S MolecularWeight: 364.4574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H20O3S/c1-16-7-13-21(26-16)20(23)12-14-22(24)25-15-17-8-10-19(11-9-17)18-5-3-2-4-6-18/h2-11,13H,12,14-15H2,1H3