2-azanyl-3-[4-(chloromethyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(chloromethyl)phenyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(chloromethyl)phenyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(chloromethyl)phenyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(chloromethyl)phenyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(chloromethyl)phenyl]thio]propionic acid Formula: C10H12ClNO2S MolecularWeight: 245.72578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCl)SCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CCl)SCC(C(=O)O)N

InChI

InChI=1S/C10H12ClNO2S/c11-5-7-1-3-8(4-2-7)15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)