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

Systemtic Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 5-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(3-butyramidophenyl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-2-4-17(23)20-12-5-3-6-14(9-12)27-11-18(24)21-13-7-8-16(22)15(10-13)19(25)26/h3,5-10,22H,2,4,11H2,1H3,(H,20,23)(H,21,24)(H,25,26)