2-[2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[3-(methylsulfanylmethyl)benzoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[3-(methylsulfanylmethyl)benzoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[3-[(methylthio)methyl]benzoyl]amino]acetyl]amino]acetic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-20-8-9-3-2-4-10(5-9)13(19)15-6-11(16)14-7-12(17)18/h2-5H,6-8H2,1H3,(H,14,16)(H,15,19)(H,17,18)