methyl 2-[2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H27N3O4S/c1-16(2)14-27-22(29)18-11-7-8-12-19(18)26-24(27)32-15-21(28)25-20(23(30)31-3)13-17-9-5-4-6-10-17/h4-12,16,20H,13-15H2,1-3H3,(H,25,28)