5-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[3-(2-naphthoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C28H24N2O5S MolecularWeight: 500.56556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H24N2O5S/c1-2-25(27(33)30-21-12-13-24(31)23(16-21)28(34)35)36-22-9-5-8-20(15-22)29-26(32)19-11-10-17-6-3-4-7-18(17)14-19/h3-16,25,31H,2H2,1H3,(H,29,32)(H,30,33)(H,34,35)