methyl 2-[3-(4-fluorophenyl)sulfanylpropanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[3-(4-fluorophenyl)sulfanylpropanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[3-(4-fluorophenyl)sulfanylpropanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-fluorophenyl)sulfanylpropanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoyloxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H17FN2O5S MolecularWeight: 416.422783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O5S/c1-27-20(26)12-2-7-15-16(10-12)22-17(23-19(15)25)11-28-18(24)8-9-29-14-5-3-13(21)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,22,23,25)