4-chloranyl-3-[2-(furan-2-ylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(furan-2-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(2-furylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-(2-furanylmethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(2-furfurylthio)acetyl]amino]benzoic acid Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=COC(=C1)CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C14H12ClNO4S/c15-11-4-3-9(14(18)19)6-12(11)16-13(17)8-21-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,16,17)(H,18,19)