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

Systemtic Name: 4-oxidanylidene-3-phenethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid Openeye Name: 4-oxo-3-phenethyl-2-[(3-phenylisoxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid CAS Name: 4-oxo-3-phenethyl-2-[(3-phenyl-5-isoxazolyl)methylthio]-7-quinazolinecarboxylic acid IUPAC Name: 4-oxo-3-phenethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]quinazoline-7-carboxylic acid Traditional Name: 4-keto-3-phenethyl-2-[(3-phenylisoxazol-5-yl)methylthio]quinazoline-7-carboxylic acid Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=CC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=CC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O4S/c31-25-22-12-11-20(26(32)33)15-24(22)28-27(30(25)14-13-18-7-3-1-4-8-18)35-17-21-16-23(29-34-21)19-9-5-2-6-10-19/h1-12,15-16H,13-14,17H2,(H,32,33)