3,5-bis(chloranyl)-2-[2-(2-methoxyethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[2-(2-methoxyethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3,5-dichloro-2-[[2-(2-methoxyethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3,5-dichloro-2-[[2-(2-methoxyethylthio)acetyl]amino]benzoic acid Formula: C12H13Cl2NO4S MolecularWeight: 338.20692

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Descriptors Computed from Structure

Canonical SMILES:

COCCSCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

Isomeric SMILES

COCCSCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

InChI

InChI=1S/C12H13Cl2NO4S/c1-19-2-3-20-6-10(16)15-11-8(12(17)18)4-7(13)5-9(11)14/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18)