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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-oxo-1-[(2-phenylthiazol-4-yl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-oxo-1-[(2-phenyl-4-thiazolyl)methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-keto-1-[(2-phenylthiazol-4-yl)methyl]nicotinic acid methyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O3S/c1-24-18(23)14-7-13(8-19)17(22)21(9-14)10-15-11-25-16(20-15)12-5-3-2-4-6-12/h2-7,9,11H,10H2,1H3