2-[[3-(carboxymethylsulfanylmethyl)quinoxalin-2-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(carboxymethylsulfanylmethyl)quinoxalin-2-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-(carboxymethylsulfanylmethyl)quinoxalin-2-yl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[(carboxymethylthio)methyl]-2-quinoxalinyl]methylthio]acetic acid IUPAC Name: 2-[[3-(carboxymethylsulfanylmethyl)quinoxalin-2-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[(carboxymethylthio)methyl]quinoxalin-2-yl]methylthio]acetic acid Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)CSCC(=O)O)CSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)CSCC(=O)O)CSCC(=O)O

InChI

InChI=1S/C14H14N2O4S2/c17-13(18)7-21-5-11-12(6-22-8-14(19)20)16-10-4-2-1-3-9(10)15-11/h1-4H,5-8H2,(H,17,18)(H,19,20)