methyl 1-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-5-cyano-6-oxo-pyridine-3-carboxylate CAS Name: 1-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-5-cyano-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-5-cyano-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-6-keto-1-[2-keto-2-(piazthiol-4-ylamino)ethyl]nicotinic acid methyl ester Formula: C16H11N5O4S MolecularWeight: 369.35464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H11N5O4S/c1-25-16(24)10-5-9(6-17)15(23)21(7-10)8-13(22)18-11-3-2-4-12-14(11)20-26-19-12/h2-5,7H,8H2,1H3,(H,18,22)