3-[4-(1,3-benzodioxol-5-yl)phenyl]-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)phenyl]-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)phenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3-[4-(1,3-benzodioxol-5-yl)phenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)phenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)phenyl]-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridine-5-carbonitrile Formula: C21H12N2O4S MolecularWeight: 388.39598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C4=CSC5=C4C(=O)C(=C(N5)O)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C4=CSC5=C4C(=O)C(=C(N5)O)C#N

InChI

InChI=1S/C21H12N2O4S/c22-8-14-19(24)18-15(9-28-21(18)23-20(14)25)12-3-1-11(2-4-12)13-5-6-16-17(7-13)27-10-26-16/h1-7,9H,10H2,(H2,23,24,25)