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

Systemtic Name: 2-[4-methyl-2-(5-nitropyridin-2-yl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-[(5-nitro-2-pyridyl)sulfanyl]thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[(5-nitro-2-pyridinyl)thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-(5-nitropyridin-2-yl)sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-methyl-2-[(5-nitro-2-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=NC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

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

InChI

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