methyl 2-[[(3S)-6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[(3S)-6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[(3S)-6-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]sulfanyl]acetate CAS Name: 2-[[(3S)-6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(3S)-6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]acetate Traditional Name: 2-[[(3S)-1,1-diketo-6-nitro-2,3-dihydrobenzothiophen-3-yl]thio]acetic acid methyl ester Formula: C11H11NO6S2 MolecularWeight: 317.33814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1CS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CS[C@@H]1CS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO6S2/c1-18-11(13)5-19-9-6-20(16,17)10-4-7(12(14)15)2-3-8(9)10/h2-4,9H,5-6H2,1H3/t9-/m1/s1