2-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: 2-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate Openeye Name: 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoate IUPAC Name: 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 2-[[2-(2-pyrimidylthio)acetyl]amino]benzoate Formula: C13H10N3O3S- MolecularWeight: 288.3018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C13H11N3O3S/c17-11(8-20-13-14-6-3-7-15-13)16-10-5-2-1-4-9(10)12(18)19/h1-7H,8H2,(H,16,17)(H,18,19)/p-1