2-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(methylthio)nicotinoyl]piperazino]acetic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C13H17N3O3S/c1-20-12-10(3-2-4-14-12)13(19)16-7-5-15(6-8-16)9-11(17)18/h2-4H,5-9H2,1H3,(H,17,18)