3-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid

Systemtic Name: 3-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid Openeye Name: 3-(7-methoxycarbonyl-4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoic acid CAS Name: 3-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid IUPAC Name: 3-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid Traditional Name: 3-(7-carbomethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)propionic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)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/h2-3,6H,4-5H2,1H3,(H,14,21)(H,16,17)