2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenyl-propanoic acid

Systemtic Name: 2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenyl-propanoic acid Openeye Name: 2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-3-phenyl-propanoic acid CAS Name: 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylpropanoic acid IUPAC Name: 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylpropanoic acid Traditional Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-3-phenyl-propionic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3NC2=S

InChI

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