nitro (2E)-2-[3-(phenylsulfonyl)-1,3-thiazinan-2-ylidene]propanoate

Systemtic Name: nitro (2E)-2-[3-(phenylsulfonyl)-1,3-thiazinan-2-ylidene]propanoate Openeye Name: nitro (2E)-2-[3-(benzenesulfonyl)-1,3-thiazinan-2-ylidene]propanoate CAS Name: (2E)-2-[3-(benzenesulfonyl)-1,3-thiazinan-2-ylidene]propanoic acid nitro ester IUPAC Name: nitro (2E)-2-[3-(benzenesulfonyl)-1,3-thiazinan-2-ylidene]propanoate Traditional Name: (2E)-2-(3-besyl-1,3-thiazinan-2-ylidene)propionic acid nitro ester Formula: C13H14N2O6S2 MolecularWeight: 358.39006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1N(CCCS1)S(=O)(=O)C2=CC=CC=C2)C(=O)O[N+](=O)[O-]

Isomeric SMILES

C/C(=C\1/N(CCCS1)S(=O)(=O)C2=CC=CC=C2)/C(=O)O[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6S2/c1-10(13(16)21-15(17)18)12-14(8-5-9-22-12)23(19,20)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3/b12-10+