tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-[[3-cyano-6-phenyl-4-(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[(3-cyano-6-phenyl-4-thiophen-2-yl-2-pyridinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-6-phenyl-4-(2-thienyl)-2-pyridyl]thio]acetic acid tert-butyl ester Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2S2/c1-22(2,3)26-20(25)14-28-21-17(13-23)16(19-10-7-11-27-19)12-18(24-21)15-8-5-4-6-9-15/h4-12H,14H2,1-3H3