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

Systemtic Name: 4-chloranyl-3-[2-[3-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[3-(p-anisoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C23H19ClN2O5S MolecularWeight: 470.92536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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