3-methylsulfanyl-2-(quinolin-6-ylsulfonylamino)propanoic acid

Systemtic Name: 3-methylsulfanyl-2-(quinolin-6-ylsulfonylamino)propanoic acid Openeye Name: 3-methylsulfanyl-2-(6-quinolylsulfonylamino)propanoic acid CAS Name: 3-(methylthio)-2-(6-quinolinylsulfonylamino)propanoic acid IUPAC Name: 3-methylsulfanyl-2-(quinolin-6-ylsulfonylamino)propanoic acid Traditional Name: 3-(methylthio)-2-(6-quinolylsulfonylamino)propionic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=CC=C2

Isomeric SMILES

CSCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=CC=C2

InChI

InChI=1S/C13H14N2O4S2/c1-20-8-12(13(16)17)15-21(18,19)10-4-5-11-9(7-10)3-2-6-14-11/h2-7,12,15H,8H2,1H3,(H,16,17)