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

Systemtic Name: ethyl 4-(3-cyano-6-phenyl-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-6-phenyl-4-(2-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-phenyl-4-thiophen-2-yl-2-pyridinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-phenyl-4-(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)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CS3)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CS3)C#N

InChI

InChI=1S/C22H18N2O3S2/c1-2-27-21(26)11-16(25)14-29-22-18(13-23)17(20-9-6-10-28-20)12-19(24-22)15-7-4-3-5-8-15/h3-10,12H,2,11,14H2,1H3