2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[(2-fluorophenyl)methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-2-[(2-fluorobenzyl)thio]-4-keto-quinazoline-7-carboxylic acid Formula: C19H15FN2O3S MolecularWeight: 370.397403

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC3=CC=CC=C3F

InChI

InChI=1S/C19H15FN2O3S/c1-2-9-22-17(23)14-8-7-12(18(24)25)10-16(14)21-19(22)26-11-13-5-3-4-6-15(13)20/h2-8,10H,1,9,11H2,(H,24,25)