(phenylmethyl) 2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetic acid benzyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4S/c25-20(28-14-16-7-2-1-3-8-16)15-29-22-23-19-11-5-4-10-18(19)21(26)24(22)13-17-9-6-12-27-17/h1-5,7-8,10-11,17H,6,9,12-15H2