3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]propanoic acid

Systemtic Name: 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]propanoic acid Openeye Name: 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]propanoic acid CAS Name: 3-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]propanoic acid IUPAC Name: 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]propanoic acid Traditional Name: 3-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]propionic acid Formula: C11H12N2O2S2 MolecularWeight: 268.35518

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NCCC(=O)O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NCCC(=O)O

InChI

InChI=1S/C11H12N2O2S2/c1-16-11-13-8-3-2-7(6-9(8)17-11)12-5-4-10(14)15/h2-3,6,12H,4-5H2,1H3,(H,14,15)