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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(2-phenylthiazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(2-phenyl-4-thiazolyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(2-phenylthiazol-4-yl)methylthio]nicotinic acid ethyl ester Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CSC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CSC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H17N3O2S2/c1-3-25-20(24)17-9-15(10-21)19(22-13(17)2)27-12-16-11-26-18(23-16)14-7-5-4-6-8-14/h4-9,11H,3,12H2,1-2H3