1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C25H22N2O6S MolecularWeight: 478.51698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H22N2O6S/c1-15-8-9-16(2)22(14-15)34(30,31)33-19-12-10-18(11-13-19)25(29)32-17(3)23-26-21-7-5-4-6-20(21)24(28)27-23/h4-14,17H,1-3H3,(H,26,27,28)