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

Systemtic Name: 3-(furan-2-ylmethyl)-4-oxidanylidene-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid Openeye Name: 3-(2-furylmethyl)-4-oxo-2-[(3-phenylisoxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid CAS Name: 3-(2-furanylmethyl)-4-oxo-2-[(3-phenyl-5-isoxazolyl)methylthio]-7-quinazolinecarboxylic acid IUPAC Name: 3-(furan-2-ylmethyl)-4-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid Traditional Name: 3-(2-furfuryl)-4-keto-2-[(3-phenylisoxazol-5-yl)methylthio]quinazoline-7-carboxylic acid Formula: C24H17N3O5S MolecularWeight: 459.47388

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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)N3CC5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NC4=C(C=CC(=C4)C(=O)O)C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C24H17N3O5S/c28-22-19-9-8-16(23(29)30)11-21(19)25-24(27(22)13-17-7-4-10-31-17)33-14-18-12-20(26-32-18)15-5-2-1-3-6-15/h1-12H,13-14H2,(H,29,30)