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3-(1,3-benzothiazol-2-yl)-2-ethanoylsulfanyl-propanoic acid

3-(1,3-benzothiazol-2-yl)-2-ethanoylsulfanyl-propanoic acid

Systemtic Name:3-(1,3-benzothiazol-2-yl)-2-ethanoylsulfanyl-propanoic acid
Openeye Name:2-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoic acid
CAS Name:2-(acetylthio)-3-(1,3-benzothiazol-2-yl)propanoic acid
IUPAC Name:2-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoic acid
Traditional Name:2-(acetylthio)-3-(1,3-benzothiazol-2-yl)propionic acid
Formula: C12H11NO3S2
MolecularWeight: 281.35064
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=NC2=CC=CC=C2S1)C(=O)O


Isomeric SMILES

CC(=O)SC(CC1=NC2=CC=CC=C2S1)C(=O)O


InChI

InChI=1S/C12H11NO3S2/c1-7(14)17-10(12(15)16)6-11-13-8-4-2-3-5-9(8)18-11/h2-5,10H,6H2,1H3,(H,15,16)


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