2-tert-butyl-2-[2-(4-methylsulfanylphenoxy)ethyl]piperazine-1-carboxylic acid

Systemtic Name: 2-tert-butyl-2-[2-(4-methylsulfanylphenoxy)ethyl]piperazine-1-carboxylic acid Openeye Name: 2-tert-butyl-2-[2-(4-methylsulfanylphenoxy)ethyl]piperazine-1-carboxylic acid CAS Name: 2-tert-butyl-2-[2-[4-(methylthio)phenoxy]ethyl]-1-piperazinecarboxylic acid IUPAC Name: 2-tert-butyl-2-[2-(4-methylsulfanylphenoxy)ethyl]piperazine-1-carboxylic acid Traditional Name: 2-tert-butyl-2-[2-[4-(methylthio)phenoxy]ethyl]piperazine-1-carboxylic acid Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CNCCN1C(=O)O)CCOC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)C1(CNCCN1C(=O)O)CCOC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H28N2O3S/c1-17(2,3)18(13-19-10-11-20(18)16(21)22)9-12-23-14-5-7-15(24-4)8-6-14/h5-8,19H,9-13H2,1-4H3,(H,21,22)