5-[[4-[2-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione

Systemtic Name: 5-[[4-[2-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione Openeye Name: 5-[[4-[2-(2-ethyl-4-oxo-quinazolin-3-yl)ethoxy]phenyl]methyl]tetrahydrothiophene-2,4-dione CAS Name: 5-[[4-[2-(2-ethyl-4-oxo-3-quinazolinyl)ethoxy]phenyl]methyl]thiolane-2,4-dione IUPAC Name: 5-[[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione Traditional Name: 5-[4-[2-(2-ethyl-4-keto-quinazolin-3-yl)ethoxy]benzyl]tetrahydrothiophene-2,4-quinone Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1CCOC3=CC=C(C=C3)CC4C(=O)CC(=O)S4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1CCOC3=CC=C(C=C3)CC4C(=O)CC(=O)S4

InChI

InChI=1S/C23H22N2O4S/c1-2-21-24-18-6-4-3-5-17(18)23(28)25(21)11-12-29-16-9-7-15(8-10-16)13-20-19(26)14-22(27)30-20/h3-10,20H,2,11-14H2,1H3