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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=CS2)C#N)SCC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=CS2)C#N)SCC(=O)OC3=CC=CC=C3

InChI

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