3-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[(4-chlorobenzyl)thio]acetyl]amino]propionic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NCCC(=O)O)Cl

InChI

InChI=1S/C12H14ClNO3S/c13-10-3-1-9(2-4-10)7-18-8-11(15)14-6-5-12(16)17/h1-4H,5-8H2,(H,14,15)(H,16,17)