4-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: 4-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate Openeye Name: 4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoate IUPAC Name: 4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(2-pyrimidylthio)acetyl]amino]benzoate Formula: C13H10N3O3S- MolecularWeight: 288.3018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

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