3-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid

Systemtic Name: 3-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid Openeye Name: 3-[[2-(4-pyridylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]butanoic acid IUPAC Name: 3-[(2-pyridin-4-ylsulfanylacetyl)amino]butanoic acid Traditional Name: 3-[[2-(4-pyridylthio)acetyl]amino]butyric acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CSC1=CC=NC=C1

Isomeric SMILES

CC(CC(=O)O)NC(=O)CSC1=CC=NC=C1

InChI

InChI=1S/C11H14N2O3S/c1-8(6-11(15)16)13-10(14)7-17-9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)