2-[2-[4-(aminomethyl)phenyl]sulfanylethylamino]ethanoic acid

Systemtic Name: 2-[2-[4-(aminomethyl)phenyl]sulfanylethylamino]ethanoic acid Openeye Name: 2-[2-[4-(aminomethyl)phenyl]sulfanylethylamino]acetic acid CAS Name: 2-[2-[[4-(aminomethyl)phenyl]thio]ethylamino]acetic acid IUPAC Name: 2-[2-[4-(aminomethyl)phenyl]sulfanylethylamino]acetic acid Traditional Name: 2-[2-[[4-(aminomethyl)phenyl]thio]ethylamino]acetic acid Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)SCCNCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN)SCCNCC(=O)O

InChI

InChI=1S/C11H16N2O2S/c12-7-9-1-3-10(4-2-9)16-6-5-13-8-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)