3-[2-[4-[(2-carboxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-[4-[(2-carboxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-[4-[(2-carboxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[4-[[(2-carboxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[2-[4-[(2-carboxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[[4-[(2-carboxybenzoyl)amino]phenyl]thio]propanoylamino]-4-chloro-benzoic acid Formula: C24H19ClN2O6S MolecularWeight: 498.93546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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