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

Systemtic Name: 4-oxidanylidene-3-phenyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid Openeye Name: 4-oxo-3-phenyl-2-[(3-phenylisoxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid CAS Name: 4-oxo-3-phenyl-2-[(3-phenyl-5-isoxazolyl)methylthio]-7-quinazolinecarboxylic acid IUPAC Name: 4-oxo-3-phenyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid Traditional Name: 4-keto-3-phenyl-2-[(3-phenylisoxazol-5-yl)methylthio]quinazoline-7-carboxylic acid Formula: C25H17N3O4S MolecularWeight: 455.48518

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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=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NC4=C(C=CC(=C4)C(=O)O)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C25H17N3O4S/c29-23-20-12-11-17(24(30)31)13-22(20)26-25(28(23)18-9-5-2-6-10-18)33-15-19-14-21(27-32-19)16-7-3-1-4-8-16/h1-14H,15H2,(H,30,31)