5-[2-[4-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[4-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[4-(m-anisoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O6S/c1-31-17-4-2-3-14(11-17)22(28)25-15-5-8-18(9-6-15)32-13-21(27)24-16-7-10-20(26)19(12-16)23(29)30/h2-12,26H,13H2,1H3,(H,24,27)(H,25,28)(H,29,30)