methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-2-[[2-(isopropylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN3O4S/c1-13(2)24-19(27)12-31-22-25-18-10-14(21(29)30-3)8-9-16(18)20(28)26(22)11-15-6-4-5-7-17(15)23/h4-10,13H,11-12H2,1-3H3,(H,24,27)