1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S/c1-11-7-9-13(10-8-11)24(21,22)23-12(2)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-10,12H,1-2H3,(H,18,19,20)