2-chloranyl-5-[2-(furan-2-ylmethylsulfanyl)propanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(furan-2-ylmethylsulfanyl)propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-(2-furylmethylsulfanyl)propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-(2-furanylmethylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-(furan-2-ylmethylsulfanyl)propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-(2-furfurylthio)propanoylamino]benzoic acid Formula: C15H14ClNO4S MolecularWeight: 339.79396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SCC2=CC=CO2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SCC2=CC=CO2

InChI

InChI=1S/C15H14ClNO4S/c1-9(22-8-11-3-2-6-21-11)14(18)17-10-4-5-13(16)12(7-10)15(19)20/h2-7,9H,8H2,1H3,(H,17,18)(H,19,20)