tert-butyl 2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O3S/c1-21(2,3)27-18(25)13-28-20-23-17-7-5-4-6-16(17)19(26)24(20)12-14-8-10-15(22)11-9-14/h4-11H,12-13H2,1-3H3