ethyl 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylacetate CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetate Traditional Name: 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]acetic acid ethyl ester Formula: C8H11N3O4S MolecularWeight: 245.25564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(N=CN1C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(N=CN1C)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O4S/c1-3-15-6(12)4-16-8-7(11(13)14)9-5-10(8)2/h5H,3-4H2,1-2H3