3-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoic acid CAS Name: 3-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-[[2-(2-pyrimidylthio)acetyl]amino]benzoic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC=CC=N2)C(=O)O

InChI

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