ethyl 3-azanyl-2-(5-cyano-2-methyl-6-methylsulfanyl-pyridin-3-yl)carbonyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl 3-azanyl-2-(5-cyano-2-methyl-6-methylsulfanyl-pyridin-3-yl)carbonyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 3-amino-2-(5-cyano-2-methyl-6-methylsulfanyl-pyridine-3-carbonyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-2-[[5-cyano-2-methyl-6-(methylthio)-3-pyridinyl]-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(5-cyano-2-methyl-6-methylsulfanylpyridine-3-carbonyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-2-[5-cyano-2-methyl-6-(methylthio)nicotinoyl]-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(NC1=O)SC(=C2N)C(=O)C3=C(N=C(C(=C3)C#N)SC)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(NC1=O)SC(=C2N)C(=O)C3=C(N=C(C(=C3)C#N)SC)C

InChI

InChI=1S/C19H16N4O4S2/c1-4-27-19(26)12-6-11-13(21)15(29-18(11)23-16(12)25)14(24)10-5-9(7-20)17(28-3)22-8(10)2/h5-6H,4,21H2,1-3H3,(H,23,25)