4,5-dimethoxy-N-oxidanyl-2-[(1-oxidanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl)carbamoyloxymethyl]benzeneamine oxide

Systemtic Name: 4,5-dimethoxy-N-oxidanyl-2-[(1-oxidanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl)carbamoyloxymethyl]benzeneamine oxide Openeye Name: N-hydroxy-2-[[2-hydroxy-2-oxo-1-(2-thienylmethyl)ethyl]carbamoyloxymethyl]-4,5-dimethoxy-benzeneamine oxide CAS Name: N-hydroxy-2-[[[(1-hydroxy-1-oxo-3-thiophen-2-ylpropan-2-yl)amino]-oxomethoxy]methyl]-4,5-dimethoxybenzeneamine oxide IUPAC Name: N-hydroxy-2-[(1-hydroxy-1-oxo-3-thiophen-2-ylpropan-2-yl)carbamoyloxymethyl]-4,5-dimethoxybenzeneamine oxide Traditional Name: N-hydroxy-2-[[2-hydroxy-2-keto-1-(2-thenyl)ethyl]carbamoyloxymethyl]-4,5-dimethoxy-benzeneamine oxide Formula: C17H20N2O8S MolecularWeight: 412.4143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)NC(CC2=CC=CS2)C(=O)O)[NH+](O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)NC(CC2=CC=CS2)C(=O)O)[NH+](O)[O-])OC

InChI

InChI=1S/C17H20N2O8S/c1-25-14-6-10(13(19(23)24)8-15(14)26-2)9-27-17(22)18-12(16(20)21)7-11-4-3-5-28-11/h3-6,8,12,19,23H,7,9H2,1-2H3,(H,18,22)(H,20,21)