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

Systemtic Name: ethyl 4-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C26H25N3O4S/c1-4-23(24(30)28-20-11-6-18(7-12-20)26(31)33-5-2)34-25-19(16-27)10-15-22(29-25)17-8-13-21(32-3)14-9-17/h6-15,23H,4-5H2,1-3H3,(H,28,30)