ethyl 4-[2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3F

InChI

InChI=1S/C22H22FN3O4S/c1-2-30-20(28)12-7-13-24-19(27)14-31-22-25-17-10-5-3-8-15(17)21(29)26(22)18-11-6-4-9-16(18)23/h3-6,8-11H,2,7,12-14H2,1H3,(H,24,27)