ethyl 2-[6-(2-chloranyl-6-ethoxy-pyridin-4-yl)-3-cyano-4-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-(2-chloranyl-6-ethoxy-pyridin-4-yl)-3-cyano-4-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-(2-chloro-6-ethoxy-4-pyridyl)-3-cyano-4-(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(2-chloro-6-ethoxy-4-pyridinyl)-3-cyano-4-thiophen-2-yl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(2-chloro-6-ethoxypyridin-4-yl)-3-cyano-4-thiophen-2-ylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(2-chloro-6-ethoxy-4-pyridyl)-3-cyano-4-(2-thienyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=CC(=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)OCC)Cl

Isomeric SMILES

CCOC1=NC(=CC(=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)OCC)Cl

InChI

InChI=1S/C21H18ClN3O3S2/c1-3-27-19-9-13(8-18(22)25-19)16-10-14(17-6-5-7-29-17)15(11-23)21(24-16)30-12-20(26)28-4-2/h5-10H,3-4,12H2,1-2H3