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

Systemtic Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[(3-butyramidophenyl)thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-3-5-18(24)21-13-6-4-7-15(10-13)28-12(2)19(25)22-14-8-9-17(23)16(11-14)20(26)27/h4,6-12,23H,3,5H2,1-2H3,(H,21,24)(H,22,25)(H,26,27)