2-[4-methyl-2-(6-nitropyridin-3-yl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-(6-nitropyridin-3-yl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-[(6-nitro-3-pyridyl)sulfanyl]thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[(6-nitro-3-pyridinyl)thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-(6-nitropyridin-3-yl)sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-methyl-2-[(6-nitro-3-pyridyl)thio]thiazol-5-yl]acetic acid Formula: C11H9N3O4S2 MolecularWeight: 311.33686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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