4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]butanoic acid

Systemtic Name: 4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]butanoic acid Traditional Name: 4-[[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:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-11(14-7-3-6-12(17)18)8-20-13-15-9-4-1-2-5-10(9)19-13/h1-2,4-5H,3,6-8H2,(H,14,16)(H,17,18)