3-(4-oxidanylidenequinazolin-3-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(4-oxidanylidenequinazolin-3-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(4-oxoquinazolin-3-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(4-oxoquinazolin-3-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-ketoquinazolin-3-yl)propyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H18N2O4S/c1-14-7-9-15(10-8-14)25(22,23)24-12-4-11-20-13-19-17-6-3-2-5-16(17)18(20)21/h2-3,5-10,13H,4,11-12H2,1H3