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

Systemtic Name: methyl 2-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)benzoate Openeye Name: methyl 2-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)benzoate CAS Name: 2-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)benzoate Traditional Name: 2-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)benzoic acid methyl ester Formula: C14H10N2O3S2 MolecularWeight: 318.3708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C14H10N2O3S2/c1-19-13(18)8-4-2-3-5-10(8)16-12(17)11-9(6-7-21-11)15-14(16)20/h2-7H,1H3,(H,15,20)