ethyl (2S)-1-(2-nitropent-4-enethioyl)pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-(2-nitropent-4-enethioyl)pyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-1-(2-nitropent-4-enethioyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-nitro-1-sulfanylidenepent-4-enyl)-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(2-nitropent-4-enethioyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-nitropent-4-enethioyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-3-6-9(14(16)17)11(19)13-8-5-7-10(13)12(15)18-4-2/h3,9-10H,1,4-8H2,2H3/t9?,10-/m0/s1