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

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

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCCC(=O)O

InChI

InChI=1S/C12H12N2O3S2/c15-10(13-6-5-11(16)17)7-18-12-14-8-3-1-2-4-9(8)19-12/h1-4H,5-7H2,(H,13,15)(H,16,17)