2-[4-(2-methyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-methyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-methyl-5-methylsulfanyl-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-methyl-5-methylsulfanylbenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-methyl-5-(methylthio)benzoyl]piperazino]acetic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-11-3-4-12(21-2)9-13(11)15(20)17-7-5-16(6-8-17)10-14(18)19/h3-4,9H,5-8,10H2,1-2H3,(H,18,19)