N-methylmethanamine; 2-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: N-methylmethanamine; 2-(phenylmethylsulfanyl)butanoic acid Openeye Name: 2-benzylsulfanylbutanoic acid; N-methylmethanamine CAS Name: N-methylmethanamine; 2-(phenylmethylthio)butanoic acid IUPAC Name: 2-benzylsulfanylbutanoic acid; N-methylmethanamine Traditional Name: 2-(benzylthio)butyric acid; dimethylamine Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SCC1=CC=CC=C1.CNC

Isomeric SMILES

CCC(C(=O)O)SCC1=CC=CC=C1.CNC

InChI

InChI=1S/C11H14O2S.C2H7N/c1-2-10(11(12)13)14-8-9-6-4-3-5-7-9;1-3-2/h3-7,10H,2,8H2,1H3,(H,12,13);3H,1-2H3