3-(2-fluorophenyl)-4-oxidanylidene-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid

Systemtic Name: 3-(2-fluorophenyl)-4-oxidanylidene-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid Openeye Name: 3-(2-fluorophenyl)-4-oxo-2-[(3-phenylisoxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid CAS Name: 3-(2-fluorophenyl)-4-oxo-2-[(3-phenyl-5-isoxazolyl)methylthio]-7-quinazolinecarboxylic acid IUPAC Name: 3-(2-fluorophenyl)-4-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid Traditional Name: 3-(2-fluorophenyl)-4-keto-2-[(3-phenylisoxazol-5-yl)methylthio]quinazoline-7-carboxylic acid Formula: C25H16FN3O4S MolecularWeight: 473.475643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NC4=C(C=CC(=C4)C(=O)O)C(=O)N3C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NC4=C(C=CC(=C4)C(=O)O)C(=O)N3C5=CC=CC=C5F

InChI

InChI=1S/C25H16FN3O4S/c26-19-8-4-5-9-22(19)29-23(30)18-11-10-16(24(31)32)12-21(18)27-25(29)34-14-17-13-20(28-33-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,31,32)