[4-(1,3-dithiolan-2-yl)phenyl] 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(6-bromo-4-oxo-quinazolin-3-yl)propanoate CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)propanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)propionic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H17BrN2O3S2/c21-14-3-6-17-16(11-14)19(25)23(12-22-17)8-7-18(24)26-15-4-1-13(2-5-15)20-27-9-10-28-20/h1-6,11-12,20H,7-10H2