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

Systemtic Name: 2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-indoxazen-3-ylacetyl)amino]-4-(methylthio)butyric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CC1=NOC2=CC=CC=C21

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CC1=NOC2=CC=CC=C21

InChI

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