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

Systemtic Name: 5-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[3-(2-naphthoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C27H22N2O5S/c1-16(25(31)28-21-11-12-24(30)23(15-21)27(33)34)35-22-8-4-7-20(14-22)29-26(32)19-10-9-17-5-2-3-6-18(17)13-19/h2-16,30H,1H3,(H,28,31)(H,29,32)(H,33,34)