2-[2-(carboxymethylsulfanyl)-6-methyl-quinolin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-(carboxymethylsulfanyl)-6-methyl-quinolin-4-yl]sulfanylethanoic acid Openeye Name: 2-[[2-(carboxymethylsulfanyl)-6-methyl-4-quinolyl]sulfanyl]acetic acid CAS Name: 2-[[2-(carboxymethylthio)-6-methyl-4-quinolinyl]thio]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfanyl)-6-methylquinolin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-(carboxymethylthio)-6-methyl-4-quinolyl]thio]acetic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2SCC(=O)O)SCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C14H13NO4S2/c1-8-2-3-10-9(4-8)11(20-6-13(16)17)5-12(15-10)21-7-14(18)19/h2-5H,6-7H2,1H3,(H,16,17)(H,18,19)