2-[3-phenyl-2-(2-sulfanylethylamino)propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-phenyl-2-(2-sulfanylethylamino)propyl]sulfanylethanoic acid Openeye Name: 2-[3-phenyl-2-(2-sulfanylethylamino)propyl]sulfanylacetic acid CAS Name: 2-[[2-(2-mercaptoethylamino)-3-phenylpropyl]thio]acetic acid IUPAC Name: 2-[3-phenyl-2-(2-sulfanylethylamino)propyl]sulfanylacetic acid Traditional Name: 2-[[2-(2-mercaptoethylamino)-3-phenyl-propyl]thio]acetic acid Formula: C13H19NO2S2 MolecularWeight: 285.42546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSCC(=O)O)NCCS

Isomeric SMILES

C1=CC=C(C=C1)CC(CSCC(=O)O)NCCS

InChI

InChI=1S/C13H19NO2S2/c15-13(16)10-18-9-12(14-6-7-17)8-11-4-2-1-3-5-11/h1-5,12,14,17H,6-10H2,(H,15,16)