methyl 2-[3-[3-(3-cyanopropylsulfonyl)phenyl]-4-oxidanylidene-5-phenyl-pyridin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[3-(3-cyanopropylsulfonyl)phenyl]-4-oxidanylidene-5-phenyl-pyridin-1-yl]ethanoate Openeye Name: methyl 2-[3-[3-(3-cyanopropylsulfonyl)phenyl]-4-oxo-5-phenyl-1-pyridyl]acetate CAS Name: 2-[3-[3-(3-cyanopropylsulfonyl)phenyl]-4-oxo-5-phenyl-1-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-(3-cyanopropylsulfonyl)phenyl]-4-oxo-5-phenylpyridin-1-yl]acetate Traditional Name: 2-[3-[3-(3-cyanopropylsulfonyl)phenyl]-4-keto-5-phenyl-1-pyridyl]acetic acid methyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)S(=O)(=O)CCCC#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)S(=O)(=O)CCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H22N2O5S/c1-31-23(27)17-26-15-21(18-8-3-2-4-9-18)24(28)22(16-26)19-10-7-11-20(14-19)32(29,30)13-6-5-12-25/h2-4,7-11,14-16H,5-6,13,17H2,1H3