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

Systemtic Name: 2-[2-(4-chloranyl-2-nitro-phenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(4-chloro-2-nitro-phenyl)sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(4-chloro-2-nitrophenyl)thio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(4-chloro-2-nitrophenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(4-chloro-2-nitro-phenyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C12H9ClN2O4S2 MolecularWeight: 344.79386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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