S-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl] ethanethioate

Systemtic Name: S-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl] ethanethioate Openeye Name: S-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl] ethanethioate CAS Name: ethanethioic acid S-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl] ester IUPAC Name: S-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl] ethanethioate Traditional Name: ethanethioic acid S-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl] ester Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)S[C@@H](C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C11H11NO5S/c1-7(13)18-11(5-12(14)15)8-2-3-9-10(4-8)17-6-16-9/h2-4,11H,5-6H2,1H3/t11-/m0/s1