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

Systemtic Name: 3-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(methylthio)nicotinoyl]piperazino]propionic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-21-13-11(3-2-5-15-13)14(20)17-9-7-16(8-10-17)6-4-12(18)19/h2-3,5H,4,6-10H2,1H3,(H,18,19)