ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]acetic acid ethyl ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=CC(=N1)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C=CC(=N1)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C17H14N2O4S/c1-2-21-16(20)9-24-17-12(8-18)3-5-13(19-17)11-4-6-14-15(7-11)23-10-22-14/h3-7H,2,9-10H2,1H3