2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-methyl-amino]acetic acid CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-methylamino]acetic acid Traditional Name: 2-[[2-[(4-chlorobenzyl)thio]acetyl]-methyl-amino]acetic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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