4,5-dimethoxy-2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: 4,5-dimethoxy-2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: 4,5-dimethoxy-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoate IUPAC Name: 4,5-dimethoxy-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoate Formula: C18H17N2O7S- MolecularWeight: 405.40178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N2O7S/c1-26-15-7-13(18(22)23)14(8-16(15)27-2)19-17(21)10-28-9-11-3-5-12(6-4-11)20(24)25/h3-8H,9-10H2,1-2H3,(H,19,21)(H,22,23)/p-1