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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CSCC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C(=O)O)NC(=O)CSCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H14ClNO3S/c1-8(12(16)17)14-11(15)7-18-6-9-3-2-4-10(13)5-9/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)