methyl 3,6-bis(azanyl)-5-cyano-4-(4-methylsulfanyl-3-oxidanyl-phenyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3,6-bis(azanyl)-5-cyano-4-(4-methylsulfanyl-3-oxidanyl-phenyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3,6-diamino-5-cyano-4-(3-hydroxy-4-methylsulfanyl-phenyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3,6-diamino-5-cyano-4-[3-hydroxy-4-(methylthio)phenyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3,6-diamino-5-cyano-4-(3-hydroxy-4-methylsulfanylphenyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3,6-diamino-5-cyano-4-[3-hydroxy-4-(methylthio)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C(=C2C3=CC(=C(C=C3)SC)O)C#N)N)N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C(=C2C3=CC(=C(C=C3)SC)O)C#N)N)N

InChI

InChI=1S/C17H14N4O3S2/c1-24-17(23)14-13(19)12-11(7-3-4-10(25-2)9(22)5-7)8(6-18)15(20)21-16(12)26-14/h3-5,22H,19H2,1-2H3,(H2,20,21)