ethyl 4-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C25H23N3O4S/c1-4-32-25(30)18-5-10-20(11-6-18)27-23(29)16(2)33-24-19(15-26)9-14-22(28-24)17-7-12-21(31-3)13-8-17/h5-14,16H,4H2,1-3H3,(H,27,29)