2-chloranyl-5-[2-[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[4-(p-anisoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C23H19ClN2O5S MolecularWeight: 470.92536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H19ClN2O5S/c1-31-17-7-2-14(3-8-17)22(28)26-15-4-9-18(10-5-15)32-13-21(27)25-16-6-11-20(24)19(12-16)23(29)30/h2-12H,13H2,1H3,(H,25,27)(H,26,28)(H,29,30)