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

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]pentanoic acid Openeye Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]pentanoic acid Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]valeric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-2-5-10(13(18)19)15-12(17)8-21-14-16-9-6-3-4-7-11(9)20-14/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,17)(H,18,19)