3-[4-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[5-[(methylthio)methyl]-2-furoyl]piperazino]propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CSCC1=CC=C(O1)C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-21-10-11-2-3-12(20-11)14(19)16-8-6-15(7-9-16)5-4-13(17)18/h2-3H,4-10H2,1H3,(H,17,18)