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

Systemtic Name: 2-[2-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-(2-chloro-4-nitro-phenyl)sulfanyl-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[(2-chloro-4-nitrophenyl)thio]-4-methyl-5-thiazolyl]acetate IUPAC Name: 2-[2-(2-chloro-4-nitrophenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[(2-chloro-4-nitro-phenyl)thio]-4-methyl-thiazol-5-yl]acetate Formula: C12H8ClN2O4S2- MolecularWeight: 343.78592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O4S2/c1-6-10(5-11(16)17)21-12(14-6)20-9-3-2-7(15(18)19)4-8(9)13/h2-4H,5H2,1H3,(H,16,17)/p-1