methyl 5-cyano-2-(dimethoxymethyl)-6-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-(dimethoxymethyl)-6-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-(dimethoxymethyl)-6-(5-nitrothiazol-2-yl)sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-(dimethoxymethyl)-6-[(5-nitro-2-thiazolyl)thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-(dimethoxymethyl)-6-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-(dimethoxymethyl)-6-[(5-nitrothiazol-2-yl)thio]nicotinic acid methyl ester Formula: C14H12N4O6S2 MolecularWeight: 396.39828

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=C(C(=N1)SC2=NC=C(S2)[N+](=O)[O-])C#N)C(=O)OC)OC

Isomeric SMILES

COC(C1=C(C=C(C(=N1)SC2=NC=C(S2)[N+](=O)[O-])C#N)C(=O)OC)OC

InChI

InChI=1S/C14H12N4O6S2/c1-22-12(19)8-4-7(5-15)11(17-10(8)13(23-2)24-3)26-14-16-6-9(25-14)18(20)21/h4,6,13H,1-3H3