2-[[2-(4-ethoxyphenyl)sulfanylethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-ethoxyphenyl)sulfanylethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[[[2-(p-phenetylthio)acetyl]amino]methyl]phenolate Formula: C17H17N2O5S- MolecularWeight: 361.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H18N2O5S/c1-2-24-14-4-6-15(7-5-14)25-11-17(21)18-10-12-9-13(19(22)23)3-8-16(12)20/h3-9,20H,2,10-11H2,1H3,(H,18,21)/p-1