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

Systemtic Name: 4-chloranyl-3-[2-(furan-2-ylmethylsulfanyl)butanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-(2-furylmethylsulfanyl)butanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-(2-furanylmethylthio)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-(furan-2-ylmethylsulfanyl)butanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-(2-furfurylthio)butanoylamino]benzoic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO4S/c1-2-14(23-9-11-4-3-7-22-11)15(19)18-13-8-10(16(20)21)5-6-12(13)17/h3-8,14H,2,9H2,1H3,(H,18,19)(H,20,21)