(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(phenylcarbonyl)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(phenylcarbonyl)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H18O4S MolecularWeight: 378.44092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H18O4S/c23-19(20-13-7-15-27-20)12-6-14-26-22(25)18-11-5-4-10-17(18)21(24)16-8-2-1-3-9-16/h1-5,7-11,13,15H,6,12,14H2