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

Systemtic Name: 3-[4-(4-methylsulfanylphenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[[4-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[4-(methylthio)benzoyl]piperazino]propionic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-21-13-4-2-12(3-5-13)15(20)17-10-8-16(9-11-17)7-6-14(18)19/h2-5H,6-11H2,1H3,(H,18,19)