methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-chloro-4-fluoro-phenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-chloro-4-fluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C22H20ClFN2O4S MolecularWeight: 462.921603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H20ClFN2O4S/c1-22(2,3)18(27)11-31-21-25-17-9-12(20(29)30-4)5-7-14(17)19(28)26(21)13-6-8-16(24)15(23)10-13/h5-10H,11H2,1-4H3