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

Systemtic Name: ethyl 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 2-[(3-cyano-6-phenyl-2-pyridyl)thio]-3-keto-butyric acid ethyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H16N2O3S/c1-3-23-18(22)16(12(2)21)24-17-14(11-19)9-10-15(20-17)13-7-5-4-6-8-13/h4-10,16H,3H2,1-2H3