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

Systemtic Name: 4-chloranyl-3-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 4-chloro-3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(2-pyrimidylthio)acetyl]amino]benzoic acid Formula: C13H10ClN3O3S MolecularWeight: 323.7548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN3O3S/c14-9-3-2-8(12(19)20)6-10(9)17-11(18)7-21-13-15-4-1-5-16-13/h1-6H,7H2,(H,17,18)(H,19,20)