ethyl 4-(3-cyano-4-methyl-6-pyridin-3-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-cyano-4-methyl-6-pyridin-3-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-4-methyl-6-(3-pyridyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-4-methyl-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-4-methyl-6-(3-pyridyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CN=CC=C2)C)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CN=CC=C2)C)C#N

InChI

InChI=1S/C18H17N3O3S/c1-3-24-17(23)8-14(22)11-25-18-15(9-19)12(2)7-16(21-18)13-5-4-6-20-10-13/h4-7,10H,3,8,11H2,1-2H3