4-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(4-methylsulfanylphenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-[4-(methylthio)phenyl]ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[4-keto-2-[(E)-2-[4-(methylthio)phenyl]vinyl]quinazolin-3-yl]benzoic acid Formula: C24H18N2O3S MolecularWeight: 414.47632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H18N2O3S/c1-30-19-13-6-16(7-14-19)8-15-22-25-21-5-3-2-4-20(21)23(27)26(22)18-11-9-17(10-12-18)24(28)29/h2-15H,1H3,(H,28,29)/b15-8+