methyl 4-[7-(2-methylpropylcarbamoyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[7-(2-methylpropylcarbamoyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-[7-(isobutylcarbamoyl)-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[7-[(2-methylpropylamino)-oxomethyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[7-(2-methylpropylcarbamoyl)-4-oxo-3-phenethylquinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[7-(isobutylcarbamoyl)-4-keto-3-phenethyl-quinazolin-2-yl]thio]-3-keto-butyric acid methyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)CC(=O)OC)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)CC(=O)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O5S/c1-17(2)15-27-24(32)19-9-10-21-22(13-19)28-26(35-16-20(30)14-23(31)34-3)29(25(21)33)12-11-18-7-5-4-6-8-18/h4-10,13,17H,11-12,14-16H2,1-3H3,(H,27,32)