nitro (2E)-2-(3-phenylsulfanyl-1,3-thiazinan-2-ylidene)propanoate

Systemtic Name: nitro (2E)-2-(3-phenylsulfanyl-1,3-thiazinan-2-ylidene)propanoate Openeye Name: nitro (2E)-2-(3-phenylsulfanyl-1,3-thiazinan-2-ylidene)propanoate CAS Name: (2E)-2-[3-(phenylthio)-1,3-thiazinan-2-ylidene]propanoic acid nitro ester IUPAC Name: nitro (2E)-2-(3-phenylsulfanyl-1,3-thiazinan-2-ylidene)propanoate Traditional Name: (2E)-2-[3-(phenylthio)-1,3-thiazinan-2-ylidene]propionic acid nitro ester Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1N(CCCS1)SC2=CC=CC=C2)C(=O)O[N+](=O)[O-]

Isomeric SMILES

C/C(=C\1/N(CCCS1)SC2=CC=CC=C2)/C(=O)O[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4S2/c1-10(13(16)19-15(17)18)12-14(8-5-9-20-12)21-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3/b12-10+