methyl 5-cyano-1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-1-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[[2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-1-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]-6-keto-nicotinic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)CN3C=C(C=C(C3=O)C#N)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)CN3C=C(C=C(C3=O)C#N)C(=O)OC

InChI

InChI=1S/C20H17N3O5S/c1-26-16-6-4-5-15(17(16)27-2)18-22-14(11-29-18)10-23-9-13(20(25)28-3)7-12(8-21)19(23)24/h4-7,9,11H,10H2,1-3H3