1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C25H20FN3O4S MolecularWeight: 477.507403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H20FN3O4S/c1-15(23-28-20-8-4-2-6-18(20)24(31)29-23)33-25(32)19-7-3-5-9-21(19)34-14-22(30)27-17-12-10-16(26)11-13-17/h2-13,15H,14H2,1H3,(H,27,30)(H,28,29,31)