2,4-bis(chloranyl)-6-[2-(4-phenylmethoxyphenyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-6-[2-(4-phenylmethoxyphenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-benzyloxyphenyl)sulfanylacetyl]amino]-4,6-dichloro-benzoic acid CAS Name: 2,4-dichloro-6-[[1-oxo-2-[(4-phenylmethoxyphenyl)thio]ethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-6-[[2-(4-phenylmethoxyphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-[[2-[(4-benzoxyphenyl)thio]acetyl]amino]-4,6-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=CC(=CC(=C3C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)SCC(=O)NC3=CC(=CC(=C3C(=O)O)Cl)Cl

InChI

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