ethyl 3-[6-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2,4-dimethyl-pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[6-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2,4-dimethyl-pyridin-3-yl]propanoate Openeye Name: ethyl 3-[6-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-5-cyano-2,4-dimethyl-3-pyridyl]propanoate CAS Name: 3-[6-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5-cyano-2,4-dimethyl-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5-cyano-2,4-dimethylpyridin-3-yl]propanoate Traditional Name: 3-[6-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-5-cyano-2,4-dimethyl-3-pyridyl]propionic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C22H22N2O5S/c1-4-27-21(26)8-6-16-13(2)17(10-23)22(24-14(16)3)30-11-18(25)15-5-7-19-20(9-15)29-12-28-19/h5,7,9H,4,6,8,11-12H2,1-3H3