methyl 2-[4-[4-oxidanylidene-2-(2-oxidanylideneheptylsulfanyl)quinazolin-3-yl]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[4-oxidanylidene-2-(2-oxidanylideneheptylsulfanyl)quinazolin-3-yl]phenyl]ethanoate Openeye Name: methyl 2-[4-[4-oxo-2-(2-oxoheptylsulfanyl)quinazolin-3-yl]phenyl]acetate CAS Name: 2-[4-[4-oxo-2-(2-oxoheptylthio)-3-quinazolinyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-oxo-2-(2-oxoheptylsulfanyl)quinazolin-3-yl]phenyl]acetate Traditional Name: 2-[4-[4-keto-2-(2-ketoheptylthio)quinazolin-3-yl]phenyl]acetic acid methyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC(=O)OC

Isomeric SMILES

CCCCCC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC(=O)OC

InChI

InChI=1S/C24H26N2O4S/c1-3-4-5-8-19(27)16-31-24-25-21-10-7-6-9-20(21)23(29)26(24)18-13-11-17(12-14-18)15-22(28)30-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3