2-[4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]phenoxy]ethanoic acid Openeye Name: 2-[4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetic acid CAS Name: 2-[4-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetic acid Traditional Name: 2-[4-[[2-[(4-nitrobenzyl)thio]acetyl]amino]phenoxy]acetic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NC2=CC=C(C=C2)OCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NC2=CC=C(C=C2)OCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c20-16(11-26-10-12-1-5-14(6-2-12)19(23)24)18-13-3-7-15(8-4-13)25-9-17(21)22/h1-8H,9-11H2,(H,18,20)(H,21,22)