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

Systemtic Name: methyl 2-[4-[2-(2-oxidanylheptylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]phenyl]propanoate Openeye Name: methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxo-quinazolin-3-yl]phenyl]propanoate CAS Name: 2-[4-[2-(2-hydroxyheptylthio)-4-oxo-3-quinazolinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxoquinazolin-3-yl]phenyl]propanoate Traditional Name: 2-[4-[2-(2-hydroxyheptylthio)-4-keto-quinazolin-3-yl]phenyl]propionic acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4S/c1-4-5-6-9-20(28)16-32-25-26-22-11-8-7-10-21(22)23(29)27(25)19-14-12-18(13-15-19)17(2)24(30)31-3/h7-8,10-15,17,20,28H,4-6,9,16H2,1-3H3