ethyl 4-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-ylpyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C22H17ClN2O3S2 MolecularWeight: 456.96498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H17ClN2O3S2/c1-2-28-21(27)10-16(26)13-30-22-18(12-24)17(14-5-7-15(23)8-6-14)11-19(25-22)20-4-3-9-29-20/h3-9,11H,2,10,13H2,1H3