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

Systemtic Name: 2-chloranyl-5-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[3-(o-toluoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C23H19ClN2O4S MolecularWeight: 454.92596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H19ClN2O4S/c1-14-5-2-3-8-18(14)22(28)26-15-6-4-7-17(11-15)31-13-21(27)25-16-9-10-20(24)19(12-16)23(29)30/h2-12H,13H2,1H3,(H,25,27)(H,26,28)(H,29,30)