methyl 3-[2-[1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-(4-fluorophenyl)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C21H19FN2O4S/c1-13(19(26)14-7-9-15(22)10-8-14)29-21-23-17-6-4-3-5-16(17)20(27)24(21)12-11-18(25)28-2/h3-10,13H,11-12H2,1-2H3