5-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O7S/c1-14(23(29)26-16-10-11-19(28)18(13-16)25(31)32)35-17-7-4-6-15(12-17)27-24(30)22-20(33-2)8-5-9-21(22)34-3/h4-14,28H,1-3H3,(H,26,29)(H,27,30)(H,31,32)