4-chloranyl-3-[2-[4-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[4-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[4-(m-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=CC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

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

InChI

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