butyl 2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]acetic acid butyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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)OC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c1-2-3-17-31-24(29)18-33-26-27-23-12-8-7-11-22(23)25(30)28(26)19-13-15-21(16-14-19)32-20-9-5-4-6-10-20/h4-16H,2-3,17-18H2,1H3