3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoic acid Openeye Name: 3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanoic acid IUPAC Name: 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propionic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)O

InChI

InChI=1S/C17H14N2O3S/c20-15(21)10-11-23-17-18-14-9-5-4-8-13(14)16(22)19(17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)