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

Systemtic Name: 5-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-[[2-[[3-(veratroylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C24H22N2O7S MolecularWeight: 482.50568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O7S/c1-32-20-9-6-14(10-21(20)33-2)23(29)26-15-4-3-5-17(11-15)34-13-22(28)25-16-7-8-19(27)18(12-16)24(30)31/h3-12,27H,13H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)