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

Systemtic Name: (phenylmethyl) 2-[3-(2-acetamidoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[3-(2-acetamidoethyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(2-acetamidoethyl)-4-oxo-2-quinazolinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(2-acetamidoethyl)-4-keto-quinazolin-2-yl]thio]acetic acid benzyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-15(25)22-11-12-24-20(27)17-9-5-6-10-18(17)23-21(24)29-14-19(26)28-13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,22,25)