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

Systemtic Name: 2-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(methylthio)benzoyl]piperazino]acetic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C14H18N2O3S/c1-20-12-5-3-2-4-11(12)14(19)16-8-6-15(7-9-16)10-13(17)18/h2-5H,6-10H2,1H3,(H,17,18)