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

Systemtic Name: ethyl 4-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-6-(4-pyridyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-2-23-16(22)9-14(21)11-24-17-13(10-18)3-4-15(20-17)12-5-7-19-8-6-12/h3-8H,2,9,11H2,1H3