3-[2-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylquinazolin-4-yl]sulfanylpropanoate

Systemtic Name: 3-[2-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylquinazolin-4-yl]sulfanylpropanoate Openeye Name: 3-[2-(3-oxido-3-oxo-propyl)sulfanylquinazolin-4-yl]sulfanylpropanoate CAS Name: 3-[[2-[(3-oxido-3-oxopropyl)thio]-4-quinazolinyl]thio]propanoate IUPAC Name: 3-[2-(3-oxido-3-oxopropyl)sulfanylquinazolin-4-yl]sulfanylpropanoate Traditional Name: 3-[[2-[(3-keto-3-oxido-propyl)thio]quinazolin-4-yl]thio]propionate Formula: C14H12N2O4S2-2 MolecularWeight: 336.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCCC(=O)[O-])SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCCC(=O)[O-])SCCC(=O)[O-]

InChI

InChI=1S/C14H14N2O4S2/c17-11(18)5-7-21-13-9-3-1-2-4-10(9)15-14(16-13)22-8-6-12(19)20/h1-4H,5-8H2,(H,17,18)(H,19,20)/p-2