(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(phenylcarbonyl)benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(phenylcarbonyl)benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C21H14N2O4S MolecularWeight: 390.41186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C21H14N2O4S/c24-18(13-4-2-1-3-5-13)14-6-8-15(9-7-14)21(26)27-12-17-22-16-10-11-28-19(16)20(25)23-17/h1-11H,12H2,(H,22,23,25)