3-[7-(2-carboxyethylsulfanyl)-5,8-bis(oxidanylidene)quinolin-6-yl]sulfanylpropanoic acid

Systemtic Name: 3-[7-(2-carboxyethylsulfanyl)-5,8-bis(oxidanylidene)quinolin-6-yl]sulfanylpropanoic acid Openeye Name: 3-[[7-(2-carboxyethylsulfanyl)-5,8-dioxo-6-quinolyl]sulfanyl]propanoic acid CAS Name: 3-[[7-(2-carboxyethylthio)-5,8-dioxo-6-quinolinyl]thio]propanoic acid IUPAC Name: 3-[7-(2-carboxyethylsulfanyl)-5,8-dioxoquinolin-6-yl]sulfanylpropanoic acid Traditional Name: 3-[[7-(2-carboxyethylthio)-5,8-diketo-6-quinolyl]thio]propionic acid Formula: C15H13NO6S2 MolecularWeight: 367.39682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)C(=C(C2=O)SCCC(=O)O)SCCC(=O)O)N=C1

Isomeric SMILES

C1=CC2=C(C(=O)C(=C(C2=O)SCCC(=O)O)SCCC(=O)O)N=C1

InChI

InChI=1S/C15H13NO6S2/c17-9(18)3-6-23-14-12(21)8-2-1-5-16-11(8)13(22)15(14)24-7-4-10(19)20/h1-2,5H,3-4,6-7H2,(H,17,18)(H,19,20)