2-[[4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[4-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-(2-pyrimidylthio)acetyl]amino]benzoyl]amino]acetic acid Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C15H14N4O4S/c20-12(9-24-15-16-6-1-7-17-15)19-11-4-2-10(3-5-11)14(23)18-8-13(21)22/h1-7H,8-9H2,(H,18,23)(H,19,20)(H,21,22)