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

Systemtic Name: 4-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid Openeye Name: 4-(7-methoxycarbonyl-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanoic acid CAS Name: 4-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid IUPAC Name: 4-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid Traditional Name: 4-(7-carbomethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)butyric acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5S/c1-21-13(20)8-4-5-9-10(7-8)15-14(22)16(12(9)19)6-2-3-11(17)18/h4-5,7H,2-3,6H2,1H3,(H,15,22)(H,17,18)