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

Systemtic Name: 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H16FN3O4S/c1-2-9-24-18(26)15-8-3-12(19(27)28)10-16(15)23-20(24)29-11-17(25)22-14-6-4-13(21)5-7-14/h2-8,10H,1,9,11H2,(H,22,25)(H,27,28)