2-[4-methyl-2-(3-nitropyridin-4-yl)sulfanyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-methyl-2-(3-nitropyridin-4-yl)sulfanyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-methyl-2-[(3-nitro-4-pyridyl)sulfanyl]thiazol-5-yl]acetate CAS Name: 2-[4-methyl-2-[(3-nitro-4-pyridinyl)thio]-5-thiazolyl]acetate IUPAC Name: 2-[4-methyl-2-(3-nitropyridin-4-yl)sulfanyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-methyl-2-[(3-nitro-4-pyridyl)thio]thiazol-5-yl]acetate Formula: C11H8N3O4S2- MolecularWeight: 310.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=C(C=NC=C2)[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SC2=C(C=NC=C2)[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C11H9N3O4S2/c1-6-9(4-10(15)16)20-11(13-6)19-8-2-3-12-5-7(8)14(17)18/h2-3,5H,4H2,1H3,(H,15,16)/p-1