ethyl (2S)-1-[2-[[(E)-1-methylsulfanyl-2-nitro-ethenyl]amino]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-[2-[[(E)-1-methylsulfanyl-2-nitro-ethenyl]amino]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-1-[2-[[(E)-1-methylsulfanyl-2-nitro-vinyl]amino]acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[[(E)-1-(methylthio)-2-nitroethenyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[2-[[(E)-1-methylsulfanyl-2-nitroethenyl]amino]acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[[(E)-1-(methylthio)-2-nitro-vinyl]amino]acetyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C12H19N3O5S MolecularWeight: 317.36136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN1C(=O)CN/C(=C\[N+](=O)[O-])/SC

InChI

InChI=1S/C12H19N3O5S/c1-3-20-12(17)9-5-4-6-14(9)11(16)7-13-10(21-2)8-15(18)19/h8-9,13H,3-7H2,1-2H3/b10-8+/t9-/m0/s1