ethyl 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylacetate CAS Name: 2-[[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetate Traditional Name: 2-[[3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]acetic acid ethyl ester Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(N=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(N=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O7S/c1-4-27-14(21)9-28-16-15(20(24)25)17-10(2)18(16)8-11-5-6-13(26-3)12(7-11)19(22)23/h5-7H,4,8-9H2,1-3H3