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

Systemtic Name: 3-(7-methoxycarbonyl-4-oxidanidyl-2-sulfanylidene-quinazolin-3-yl)propanoate Openeye Name: 3-(7-methoxycarbonyl-4-oxido-2-thioxo-quinazolin-3-yl)propanoate CAS Name: 3-(7-methoxycarbonyl-4-oxido-2-sulfanylidene-3-quinazolinyl)propanoate IUPAC Name: 3-(7-methoxycarbonyl-4-oxido-2-sulfanylidenequinazolin-3-yl)propanoate Traditional Name: 3-(7-carbomethoxy-4-oxido-2-thioxo-quinazolin-3-yl)propionate Formula: C13H10N2O5S-2 MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S/c1-20-12(19)7-2-3-8-9(6-7)14-13(21)15(11(8)18)5-4-10(16)17/h2-3,6,18H,4-5H2,1H3,(H,16,17)/p-2