1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H18N2O5S/c1-11-8-9-13(27(3,24)25)10-15(11)19(23)26-12(2)17-20-16-7-5-4-6-14(16)18(22)21-17/h4-10,12H,1-3H3,(H,20,21,22)