4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-(1,3-benzoxazol-2-ylthio)acetyl]-methyl-amino]butyric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C14H16N2O4S/c1-16(8-4-7-13(18)19)12(17)9-21-14-15-10-5-2-3-6-11(10)20-14/h2-3,5-6H,4,7-9H2,1H3,(H,18,19)