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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-cyanobenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H9N3O3S MolecularWeight: 311.31526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C#N

InChI

InChI=1S/C15H9N3O3S/c16-7-9-2-1-3-10(6-9)15(20)21-8-12-17-11-4-5-22-13(11)14(19)18-12/h1-6H,8H2,(H,17,18,19)