methyl 2-[3-(3-acetyloxyphenyl)-5-[2-(7-cyanoheptylsulfinyl)phenyl]-4-oxidanylidene-pyridin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-(3-acetyloxyphenyl)-5-[2-(7-cyanoheptylsulfinyl)phenyl]-4-oxidanylidene-pyridin-1-yl]ethanoate Openeye Name: methyl 2-[3-(3-acetoxyphenyl)-5-[2-(7-cyanoheptylsulfinyl)phenyl]-4-oxo-1-pyridyl]acetate CAS Name: 2-[3-(3-acetyloxyphenyl)-5-[2-(7-cyanoheptylsulfinyl)phenyl]-4-oxo-1-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-acetyloxyphenyl)-5-[2-(7-cyanoheptylsulfinyl)phenyl]-4-oxopyridin-1-yl]acetate Traditional Name: 2-[3-(3-acetoxyphenyl)-5-[2-(7-cyanoheptylsulfinyl)phenyl]-4-keto-1-pyridyl]acetic acid methyl ester Formula: C30H32N2O6S MolecularWeight: 548.64988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC=CC=C3S(=O)CCCCCCCC#N)CC(=O)OC

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC=CC=C3S(=O)CCCCCCCC#N)CC(=O)OC

InChI

InChI=1S/C30H32N2O6S/c1-22(33)38-24-13-11-12-23(18-24)26-19-32(21-29(34)37-2)20-27(30(26)35)25-14-7-8-15-28(25)39(36)17-10-6-4-3-5-9-16-31/h7-8,11-15,18-20H,3-6,9-10,17,21H2,1-2H3