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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=O)SC(CC(=O)O)C1=NC2=CC=CC=C2S1

InChI

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