2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]propanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]propanoic acid Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]propanoic acid CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]propanoic acid Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]propionic acid Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C(=O)O)NC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H12N2O3S2/c1-7(11(16)17)13-10(15)6-18-12-14-8-4-2-3-5-9(8)19-12/h2-5,7H,6H2,1H3,(H,13,15)(H,16,17)