ethyl (2E)-2-[3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazinan-2-ylidene]-2-nitro-ethanoate

Systemtic Name: ethyl (2E)-2-[3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazinan-2-ylidene]-2-nitro-ethanoate Openeye Name: ethyl (2E)-2-[3-[(6-chloro-3-pyridyl)methyl]-1,3-thiazinan-2-ylidene]-2-nitro-acetate CAS Name: (2E)-2-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazinan-2-ylidene]-2-nitroacetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazinan-2-ylidene]-2-nitroacetate Traditional Name: (2E)-2-[3-[(6-chloro-3-pyridyl)methyl]-1,3-thiazinan-2-ylidene]-2-nitro-acetic acid ethyl ester Formula: C14H16ClN3O4S MolecularWeight: 357.81254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1N(CCCS1)CC2=CN=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C\1/N(CCCS1)CC2=CN=C(C=C2)Cl)/[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN3O4S/c1-2-22-14(19)12(18(20)21)13-17(6-3-7-23-13)9-10-4-5-11(15)16-8-10/h4-5,8H,2-3,6-7,9H2,1H3/b13-12+