3-phenyl-2-[(2S)-2-(phenylmethylsulfanyl)aziridin-1-yl]propanoic acid

Systemtic Name: 3-phenyl-2-[(2S)-2-(phenylmethylsulfanyl)aziridin-1-yl]propanoic acid Openeye Name: 2-[(2S)-2-benzylsulfanylaziridin-1-yl]-3-phenyl-propanoic acid CAS Name: 3-phenyl-2-[(2S)-2-(phenylmethylthio)-1-aziridinyl]propanoic acid IUPAC Name: 2-[(2S)-2-benzylsulfanylaziridin-1-yl]-3-phenylpropanoic acid Traditional Name: 2-[(2S)-2-(benzylthio)ethylenimin-1-yl]-3-phenyl-propionic acid Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(CC2=CC=CC=C2)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

C1[C@@H](N1C(CC2=CC=CC=C2)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C18H19NO2S/c20-18(21)16(11-14-7-3-1-4-8-14)19-12-17(19)22-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16?,17-,19?/m0/s1