5-[(4-oxidanidylquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4-oxidanidylquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-oxidoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-oxido-2-quinazolinyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-oxidoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-oxidoquinazolin-2-yl)thio]methyl]-2-furoate Formula: C14H8N2O4S-2 MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC=C(O3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC=C(O3)C(=O)[O-])[O-]

InChI

InChI=1S/C14H10N2O4S/c17-12-9-3-1-2-4-10(9)15-14(16-12)21-7-8-5-6-11(20-8)13(18)19/h1-6H,7H2,(H,18,19)(H,15,16,17)/p-2