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

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)benzoic acid Openeye Name: 4-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)benzoic acid CAS Name: 4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)benzoic acid IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)benzoic acid Traditional Name: 4-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)benzoic acid Formula: C13H8N2O3S2 MolecularWeight: 304.34422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C13H8N2O3S2/c16-11-10-9(5-6-20-10)14-13(19)15(11)8-3-1-7(2-4-8)12(17)18/h1-6H,(H,14,19)(H,17,18)