2-[2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-chloro-5-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-chloro-5-(methylthio)benzoyl]amino]acetyl]amino]acetic acid Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C12H13ClN2O4S/c1-20-7-2-3-9(13)8(4-7)12(19)15-5-10(16)14-6-11(17)18/h2-4H,5-6H2,1H3,(H,14,16)(H,15,19)(H,17,18)