6-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-7-cyano-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 6-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-7-cyano-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 6-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 6-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 6-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 6-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-7-cyano-4-keto-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C16H8N3O5S2- MolecularWeight: 386.38182

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C4=C(S3)C(=O)N=C(N4)[O-])C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C4=C(S3)C(=O)N=C(N4)[O-])C#N

InChI

InChI=1S/C16H9N3O5S2/c17-4-8-12-13(14(21)19-16(22)18-12)26-15(8)25-5-9(20)7-1-2-10-11(3-7)24-6-23-10/h1-3H,5-6H2,(H2,18,19,21,22)/p-1