3-[2-(2-methoxyethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(2-methoxyethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(2-methoxyethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(2-methoxyethylthio)acetyl]amino]benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

COCCSCC(=O)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

COCCSCC(=O)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-17-5-6-18-8-11(14)13-10-4-2-3-9(7-10)12(15)16/h2-4,7H,5-6,8H2,1H3,(H,13,14)(H,15,16)