butyl 2-[3-[4-[bis(fluoranyl)methoxy]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[3-[4-[bis(fluoranyl)methoxy]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[3-[4-(difluoromethoxy)phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[4-(difluoromethoxy)phenyl]-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[4-(difluoromethoxy)phenyl]-4-keto-quinazolin-2-yl]thio]acetic acid butyl ester Formula: C21H20F2N2O4S MolecularWeight: 434.456306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C21H20F2N2O4S/c1-2-3-12-28-18(26)13-30-21-24-17-7-5-4-6-16(17)19(27)25(21)14-8-10-15(11-9-14)29-20(22)23/h4-11,20H,2-3,12-13H2,1H3