1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H18N2O3S2/c1-12(17-21-16-5-3-2-4-15(16)18(23)22-17)25-19(24)13-6-8-14(9-7-13)20-26-10-11-27-20/h2-9,12,20H,10-11H2,1H3,(H,21,22,23)