3-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[3-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C25H24N2O6S/c1-15(23(28)26-17-8-4-7-16(13-17)25(30)31)34-19-10-5-9-18(14-19)27-24(29)22-20(32-2)11-6-12-21(22)33-3/h4-15H,1-3H3,(H,26,28)(H,27,29)(H,30,31)