2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridine-3-carbonitrile

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridine-3-carbonitrile Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridine-3-carbonitrile Formula: C18H12N2O5S2 MolecularWeight: 400.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=C(C4=C(S3)C(=O)C=C(N4)O)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=C(C4=C(S3)C(=O)C=C(N4)O)C#N

InChI

InChI=1S/C18H12N2O5S2/c19-7-10-16-17(11(21)6-15(23)20-16)27-18(10)26-8-12(22)9-1-2-13-14(5-9)25-4-3-24-13/h1-2,5-6H,3-4,8H2,(H2,20,21,23)