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

Systemtic Name: 4-chloranyl-3-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid Openeye Name: 4-chloro-3-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid CAS Name: 4-chloro-3-[[1-oxo-3-(2-pyrimidinylthio)propyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoic acid Traditional Name: 4-chloro-3-[3-(2-pyrimidylthio)propanoylamino]benzoic acid Formula: C14H12ClN3O3S MolecularWeight: 337.78138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O3S/c15-10-3-2-9(13(20)21)8-11(10)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)