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

Systemtic Name: methyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-22(2,3)18(25)13-29-21-23-17-12-14(20(27)28-4)10-11-16(17)19(26)24(21)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3