2-chloranyl-5-(2-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(2-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid Openeye Name: 2-chloro-5-(2-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-(2-pyrimidinylthio)propyl]amino]benzoic acid IUPAC Name: 2-chloro-5-(2-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid Traditional Name: 2-chloro-5-[2-(2-pyrimidylthio)propanoylamino]benzoic acid Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=NC=CC=N2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=NC=CC=N2

InChI

InChI=1S/C14H12ClN3O3S/c1-8(22-14-16-5-2-6-17-14)12(19)18-9-3-4-11(15)10(7-9)13(20)21/h2-8H,1H3,(H,18,19)(H,20,21)