4-[methyl(2-pyridin-4-ylsulfanylethanoyl)amino]butanoic acid

Systemtic Name: 4-[methyl(2-pyridin-4-ylsulfanylethanoyl)amino]butanoic acid Openeye Name: 4-[methyl-[2-(4-pyridylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-[methyl-[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(2-pyridin-4-ylsulfanylacetyl)amino]butanoic acid Traditional Name: 4-[methyl-[2-(4-pyridylthio)acetyl]amino]butyric acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSC1=CC=NC=C1

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSC1=CC=NC=C1

InChI

InChI=1S/C12H16N2O3S/c1-14(8-2-3-12(16)17)11(15)9-18-10-4-6-13-7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,17)