3-[2-(dimethylcarbamoyl)pyridin-4-yl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(dimethylcarbamoyl)pyridin-4-yl]sulfanylpropanoic acid Openeye Name: 3-[[2-(dimethylcarbamoyl)-4-pyridyl]sulfanyl]propanoic acid CAS Name: 3-[[2-[dimethylamino(oxo)methyl]-4-pyridinyl]thio]propanoic acid IUPAC Name: 3-[2-(dimethylcarbamoyl)pyridin-4-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(dimethylcarbamoyl)-4-pyridyl]thio]propionic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NC=CC(=C1)SCCC(=O)O

Isomeric SMILES

CN(C)C(=O)C1=NC=CC(=C1)SCCC(=O)O

InChI

InChI=1S/C11H14N2O3S/c1-13(2)11(16)9-7-8(3-5-12-9)17-6-4-10(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)