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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H16N2O3S2/c22-17-14-3-1-2-4-15(14)20-16(21-17)11-24-18(23)12-5-7-13(8-6-12)19-25-9-10-26-19/h1-8,19H,9-11H2,(H,20,21,22)