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

Systemtic Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylethanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 5-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[(3-butyramidophenyl)thio]acetyl]amino]-2-chloro-benzoic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S/c1-2-4-17(23)21-12-5-3-6-14(9-12)27-11-18(24)22-13-7-8-16(20)15(10-13)19(25)26/h3,5-10H,2,4,11H2,1H3,(H,21,23)(H,22,24)(H,25,26)