2-chloranyl-5-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid Openeye Name: 2-chloro-5-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid CAS Name: 2-chloro-5-[[1-oxo-3-(2-pyrimidinylthio)propyl]amino]benzoic acid IUPAC Name: 2-chloro-5-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid Traditional Name: 2-chloro-5-[3-(2-pyrimidylthio)propanoylamino]benzoic acid Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O3S/c15-11-3-2-9(8-10(11)13(20)21)18-12(19)4-7-22-14-16-5-1-6-17-14/h1-3,5-6,8H,4,7H2,(H,18,19)(H,20,21)