2-[[3-(carboxymethylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(carboxymethylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[3-(carboxymethylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[3-(carboxymethylthio)-1,2,3,4-tetrahydroquinoxalin-2-yl]thio]acetic acid IUPAC Name: 2-[[3-(carboxymethylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[3-(carboxymethylthio)-1,2,3,4-tetrahydroquinoxalin-2-yl]thio]acetic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(C(N2)SCC(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(C(N2)SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C12H14N2O4S2/c15-9(16)5-19-11-12(20-6-10(17)18)14-8-4-2-1-3-7(8)13-11/h1-4,11-14H,5-6H2,(H,15,16)(H,17,18)