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

Systemtic Name: 2-[2-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[(3-chlorobenzyl)thio]acetyl]amino]acetyl]amino]acetic acid Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C13H15ClN2O4S/c14-10-3-1-2-9(4-10)7-21-8-12(18)15-5-11(17)16-6-13(19)20/h1-4H,5-8H2,(H,15,18)(H,16,17)(H,19,20)