2,4-bis(chloranyl)-3-[2-(4-phenylmethoxyphenyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-3-[2-(4-phenylmethoxyphenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(4-benzyloxyphenyl)sulfanylacetyl]amino]-2,4-dichloro-benzoic acid CAS Name: 2,4-dichloro-3-[[1-oxo-2-[(4-phenylmethoxyphenyl)thio]ethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-3-[[2-(4-phenylmethoxyphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4-benzoxyphenyl)thio]acetyl]amino]-2,4-dichloro-benzoic acid Formula: C22H17Cl2NO4S MolecularWeight: 462.34568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3Cl)C(=O)O)Cl

InChI

InChI=1S/C22H17Cl2NO4S/c23-18-11-10-17(22(27)28)20(24)21(18)25-19(26)13-30-16-8-6-15(7-9-16)29-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,25,26)(H,27,28)