2-[3-methyl-4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[3-methyl-4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]phenoxy]ethanoic acid Openeye Name: 2-[3-methyl-4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetic acid CAS Name: 2-[3-methyl-4-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[3-methyl-4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetic acid Traditional Name: 2-[3-methyl-4-[[2-[(4-nitrobenzyl)thio]acetyl]amino]phenoxy]acetic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)O)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)O)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-12-8-15(26-9-18(22)23)6-7-16(12)19-17(21)11-27-10-13-2-4-14(5-3-13)20(24)25/h2-8H,9-11H2,1H3,(H,19,21)(H,22,23)