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

Systemtic Name: ethyl 2-(3-methyl-5-nitro-imidazol-4-yl)sulfinylethanoate Openeye Name: ethyl 2-(3-methyl-5-nitro-imidazol-4-yl)sulfinylacetate CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)sulfinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-5-nitroimidazol-4-yl)sulfinylacetate Traditional Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfinylacetic acid ethyl ester Formula: C8H11N3O5S MolecularWeight: 261.25504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)C1=C(N=CN1C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)C1=C(N=CN1C)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O5S/c1-3-16-6(12)4-17(15)8-7(11(13)14)9-5-10(8)2/h5H,3-4H2,1-2H3