tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]thio]acetic acid tert-butyl ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S2/c1-23(2,3)28-21(26)14-30-22-18(13-24)17(15-7-9-16(27-4)10-8-15)12-19(25-22)20-6-5-11-29-20/h5-12H,14H2,1-4H3