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

Systemtic Name: 2-[4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]ethanoate Openeye Name: 2-[4-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]acetate CAS Name: 2-[4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]acetate IUPAC Name: 2-[4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]acetate Traditional Name: 2-[4-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]acetate Formula: C14H9N2O3S2- MolecularWeight: 317.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)[O-])N2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1=CC(=CC=C1CC(=O)[O-])N2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C14H10N2O3S2/c17-11(18)7-8-1-3-9(4-2-8)16-13(19)12-10(5-6-21-12)15-14(16)20/h1-6H,7H2,(H,15,20)(H,17,18)/p-1