ethyl (2S)-1-(2-nitroethanethioyl)pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-(2-nitroethanethioyl)pyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-1-(2-nitroethanethioyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-nitro-1-sulfanylideneethyl)-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(2-nitroethanethioyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-nitrothioacetyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C9H14N2O4S MolecularWeight: 246.28346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1C(=S)C[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN1C(=S)C[N+](=O)[O-]

InChI

InChI=1S/C9H14N2O4S/c1-2-15-9(12)7-4-3-5-10(7)8(16)6-11(13)14/h7H,2-6H2,1H3/t7-/m0/s1