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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[[2-(3-thienyl)thiazol-4-yl]methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(3-thiophenyl)-4-thiazolyl]methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[[2-(3-thienyl)thiazol-4-yl]methylthio]nicotinic acid ethyl ester Formula: C18H15N3O2S3 MolecularWeight: 401.5256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S3/c1-3-23-18(22)15-6-13(7-19)17(20-11(15)2)26-10-14-9-25-16(21-14)12-4-5-24-8-12/h4-6,8-9H,3,10H2,1-2H3