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

Systemtic Name: 3-[4-[3-(1-ethyl-6-methyl-4-oxidanylidene-2H-quinazolin-3-yl)propyl]phenyl]-2-ethylsulfanyl-propanoic acid Openeye Name: 3-[4-[3-(1-ethyl-6-methyl-4-oxo-2H-quinazolin-3-yl)propyl]phenyl]-2-ethylsulfanyl-propanoic acid CAS Name: 3-[4-[3-(1-ethyl-6-methyl-4-oxo-2H-quinazolin-3-yl)propyl]phenyl]-2-(ethylthio)propanoic acid IUPAC Name: 3-[4-[3-(1-ethyl-6-methyl-4-oxo-2H-quinazolin-3-yl)propyl]phenyl]-2-ethylsulfanylpropanoic acid Traditional Name: 3-[4-[3-(1-ethyl-4-keto-6-methyl-2H-quinazolin-3-yl)propyl]phenyl]-2-(ethylthio)propionic acid Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CN(C(=O)C2=C1C=CC(=C2)C)CCCC3=CC=C(C=C3)CC(C(=O)O)SCC

Isomeric SMILES

CCN1CN(C(=O)C2=C1C=CC(=C2)C)CCCC3=CC=C(C=C3)CC(C(=O)O)SCC

InChI

InChI=1S/C25H32N2O3S/c1-4-26-17-27(24(28)21-15-18(3)8-13-22(21)26)14-6-7-19-9-11-20(12-10-19)16-23(25(29)30)31-5-2/h8-13,15,23H,4-7,14,16-17H2,1-3H3,(H,29,30)