2-[[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoyl]amino]acetic acid Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C15H16N4O4S/c1-19-7-6-16-15(19)24-9-12(20)18-11-4-2-10(3-5-11)14(23)17-8-13(21)22/h2-7H,8-9H2,1H3,(H,17,23)(H,18,20)(H,21,22)