ethyl 3-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]propanoate

Systemtic Name: ethyl 3-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]propanoate Openeye Name: ethyl 3-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]propionic acid ethyl ester Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=C(C2=C(S1)C(=O)C=C(N2)O)C#N

Isomeric SMILES

CCOC(=O)CCSC1=C(C2=C(S1)C(=O)C=C(N2)O)C#N

InChI

InChI=1S/C13H12N2O4S2/c1-2-19-10(18)3-4-20-13-7(6-14)11-12(21-13)8(16)5-9(17)15-11/h5H,2-4H2,1H3,(H2,15,16,17)