2-[4-[2-(2-methylphenyl)sulfanylethanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(2-methylphenyl)sulfanylethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(o-tolylsulfanyl)acetyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(2-methylphenyl)thio]-1-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(o-tolylthio)acetyl]piperazino]acetic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)CC(=O)O

InChI

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