6-(7-methoxycarbonyl-4-oxidanidyl-2-sulfanylidene-quinazolin-3-yl)hexanoate

Systemtic Name: 6-(7-methoxycarbonyl-4-oxidanidyl-2-sulfanylidene-quinazolin-3-yl)hexanoate Openeye Name: 6-(7-methoxycarbonyl-4-oxido-2-thioxo-quinazolin-3-yl)hexanoate CAS Name: 6-(7-methoxycarbonyl-4-oxido-2-sulfanylidene-3-quinazolinyl)hexanoate IUPAC Name: 6-(7-methoxycarbonyl-4-oxido-2-sulfanylidenequinazolin-3-yl)hexanoate Traditional Name: 6-(7-carbomethoxy-4-oxido-2-thioxo-quinazolin-3-yl)hexanoate Formula: C16H16N2O5S-2 MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CCCCCC(=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CCCCCC(=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-23-15(22)10-6-7-11-12(9-10)17-16(24)18(14(11)21)8-4-2-3-5-13(19)20/h6-7,9,21H,2-5,8H2,1H3,(H,19,20)/p-2