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

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]butanoic acid CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]butyric acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCC(C(=O)O)NC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H14N2O4S/c1-2-8(12(17)18)14-11(16)7-20-13-15-9-5-3-4-6-10(9)19-13/h3-6,8H,2,7H2,1H3,(H,14,16)(H,17,18)