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

Systemtic Name: 3-[4-[4-(1,7-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)butanoyl]phenyl]-2-ethylsulfanyl-propanoic acid Openeye Name: 3-[4-[4-(1,7-dimethyl-4-oxo-2H-quinazolin-3-yl)butanoyl]phenyl]-2-ethylsulfanyl-propanoic acid CAS Name: 3-[4-[4-(1,7-dimethyl-4-oxo-2H-quinazolin-3-yl)-1-oxobutyl]phenyl]-2-(ethylthio)propanoic acid IUPAC Name: 3-[4-[4-(1,7-dimethyl-4-oxo-2H-quinazolin-3-yl)butanoyl]phenyl]-2-ethylsulfanylpropanoic acid Traditional Name: 2-(ethylthio)-3-[4-[4-(4-keto-1,7-dimethyl-2H-quinazolin-3-yl)butanoyl]phenyl]propionic acid Formula: C25H30N2O4S MolecularWeight: 454.5817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1=CC=C(C=C1)C(=O)CCCN2CN(C3=C(C2=O)C=CC(=C3)C)C)C(=O)O

Isomeric SMILES

CCSC(CC1=CC=C(C=C1)C(=O)CCCN2CN(C3=C(C2=O)C=CC(=C3)C)C)C(=O)O

InChI

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