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

Systemtic Name: 5-[2-[4-[(2-carboxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[4-[(2-carboxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[4-[[(2-carboxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-[4-[(2-carboxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[[4-[(2-carboxybenzoyl)amino]phenyl]thio]propanoylamino]-2-chloro-benzoic acid Formula: C24H19ClN2O6S MolecularWeight: 498.93546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H19ClN2O6S/c1-13(21(28)27-15-8-11-20(25)19(12-15)24(32)33)34-16-9-6-14(7-10-16)26-22(29)17-4-2-3-5-18(17)23(30)31/h2-13H,1H3,(H,26,29)(H,27,28)(H,30,31)(H,32,33)