5-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[4-(1-oxobutylamino)phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 5-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[(4-butyramidophenyl)thio]propanoylamino]-2-chloro-benzoic acid Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-3-4-18(24)22-13-5-8-15(9-6-13)28-12(2)19(25)23-14-7-10-17(21)16(11-14)20(26)27/h5-12H,3-4H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)