2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-[(methylthio)methyl]benzoyl]piperazino]acetic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC(=O)O

InChI

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