3-[7-chloranyl-2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[7-chloranyl-2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[7-chloro-2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[7-chloro-2-[(5-cyano-2-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[7-chloro-2-[(5-cyano-2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[7-chloro-2-[(5-cyano-2-fluoro-benzyl)thio]-4-keto-quinazolin-3-yl]propionic acid Formula: C19H13ClFN3O3S MolecularWeight: 417.841223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(=O)O)F

InChI

InChI=1S/C19H13ClFN3O3S/c20-13-2-3-14-16(8-13)23-19(24(18(14)27)6-5-17(25)26)28-10-12-7-11(9-22)1-4-15(12)21/h1-4,7-8H,5-6,10H2,(H,25,26)