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

Systemtic Name: methyl 2-[4-[2-(2-oxidanylheptylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]phenyl]ethanoate Openeye Name: methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxo-quinazolin-3-yl]phenyl]acetate CAS Name: 2-[4-[2-(2-hydroxyheptylthio)-4-oxo-3-quinazolinyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxoquinazolin-3-yl]phenyl]acetate Traditional Name: 2-[4-[2-(2-hydroxyheptylthio)-4-keto-quinazolin-3-yl]phenyl]acetic acid methyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/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/h6-7,9-14,19,27H,3-5,8,15-16H2,1-2H3