3-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid IUPAC Name: 3-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]propionic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)O

InChI

InChI=1S/C18H16N2O4S/c1-24-13-8-6-12(7-9-13)20-17(23)14-4-2-3-5-15(14)19-18(20)25-11-10-16(21)22/h2-9H,10-11H2,1H3,(H,21,22)