methyl 3-[2-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(3-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-(3-fluoroanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-(3-fluoroanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H18FN3O4S/c1-28-18(26)9-10-24-19(27)15-7-2-3-8-16(15)23-20(24)29-12-17(25)22-14-6-4-5-13(21)11-14/h2-8,11H,9-10,12H2,1H3,(H,22,25)