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

Systemtic Name: ethyl 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H18N2O3S2/c1-3-27-22(26)20(14(2)25)29-21-17(13-23)16(15-8-5-4-6-9-15)12-18(24-21)19-10-7-11-28-19/h4-12,20H,3H2,1-2H3