ethyl 3-[2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C25H23N3O5S/c1-4-33-25(30)17-6-5-7-19(12-17)27-23(29)15-34-24-18(14-26)8-10-20(28-24)16-9-11-21(31-2)22(13-16)32-3/h5-13H,4,15H2,1-3H3,(H,27,29)