4-chloranyl-3-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-(2-furoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H19ClN2O5S/c1-2-19(21(27)25-17-11-13(22(28)29)8-9-16(17)23)31-15-6-3-5-14(12-15)24-20(26)18-7-4-10-30-18/h3-12,19H,2H2,1H3,(H,24,26)(H,25,27)(H,28,29)