3-[4-[2-(1-ethyl-6,7-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)ethoxy]phenyl]-2-ethylsulfanyl-propanoic acid

Systemtic Name: 3-[4-[2-(1-ethyl-6,7-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)ethoxy]phenyl]-2-ethylsulfanyl-propanoic acid Openeye Name: 3-[4-[2-(1-ethyl-6,7-dimethyl-4-oxo-2H-quinazolin-3-yl)ethoxy]phenyl]-2-ethylsulfanyl-propanoic acid CAS Name: 3-[4-[2-(1-ethyl-6,7-dimethyl-4-oxo-2H-quinazolin-3-yl)ethoxy]phenyl]-2-(ethylthio)propanoic acid IUPAC Name: 3-[4-[2-(1-ethyl-6,7-dimethyl-4-oxo-2H-quinazolin-3-yl)ethoxy]phenyl]-2-ethylsulfanylpropanoic acid Traditional Name: 3-[4-[2-(1-ethyl-4-keto-6,7-dimethyl-2H-quinazolin-3-yl)ethoxy]phenyl]-2-(ethylthio)propionic acid Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CN(C(=O)C2=CC(=C(C=C21)C)C)CCOC3=CC=C(C=C3)CC(C(=O)O)SCC

Isomeric SMILES

CCN1CN(C(=O)C2=CC(=C(C=C21)C)C)CCOC3=CC=C(C=C3)CC(C(=O)O)SCC

InChI

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