2-[4-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-methyl-2-[(2-nitrophenyl)methylsulfanyl]thiazol-5-yl]acetate CAS Name: 2-[4-methyl-2-[(2-nitrophenyl)methylthio]-5-thiazolyl]acetate IUPAC Name: 2-[4-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-methyl-2-[(2-nitrobenzyl)thio]thiazol-5-yl]acetate Formula: C13H11N2O4S2- MolecularWeight: 323.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC=CC=C2[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC=CC=C2[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C13H12N2O4S2/c1-8-11(6-12(16)17)21-13(14-8)20-7-9-4-2-3-5-10(9)15(18)19/h2-5H,6-7H2,1H3,(H,16,17)/p-1