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

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]butyric acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S2/c1-8(6-12(17)18)14-11(16)7-19-13-15-9-4-2-3-5-10(9)20-13/h2-5,8H,6-7H2,1H3,(H,14,16)(H,17,18)