3-[4-[2-(1-ethyl-6-methyl-4-oxidanylidene-2H-quinazolin-3-yl)propoxy]phenyl]-2-ethylsulfanyl-propanoic acid

Systemtic Name: 3-[4-[2-(1-ethyl-6-methyl-4-oxidanylidene-2H-quinazolin-3-yl)propoxy]phenyl]-2-ethylsulfanyl-propanoic acid Openeye Name: 3-[4-[2-(1-ethyl-6-methyl-4-oxo-2H-quinazolin-3-yl)propoxy]phenyl]-2-ethylsulfanyl-propanoic acid CAS Name: 3-[4-[2-(1-ethyl-6-methyl-4-oxo-2H-quinazolin-3-yl)propoxy]phenyl]-2-(ethylthio)propanoic acid IUPAC Name: 3-[4-[2-(1-ethyl-6-methyl-4-oxo-2H-quinazolin-3-yl)propoxy]phenyl]-2-ethylsulfanylpropanoic acid Traditional Name: 3-[4-[2-(1-ethyl-4-keto-6-methyl-2H-quinazolin-3-yl)propoxy]phenyl]-2-(ethylthio)propionic acid Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CN(C(=O)C2=C1C=CC(=C2)C)C(C)COC3=CC=C(C=C3)CC(C(=O)O)SCC

Isomeric SMILES

CCN1CN(C(=O)C2=C1C=CC(=C2)C)C(C)COC3=CC=C(C=C3)CC(C(=O)O)SCC

InChI

InChI=1S/C25H32N2O4S/c1-5-26-16-27(24(28)21-13-17(3)7-12-22(21)26)18(4)15-31-20-10-8-19(9-11-20)14-23(25(29)30)32-6-2/h7-13,18,23H,5-6,14-16H2,1-4H3,(H,29,30)