(phenylmethyl) (2S)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(E)-2-(5-nitro-2-thienyl)vinyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(E)-2-(5-nitro-2-thiophenyl)ethenyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(E)-2-(5-nitro-2-thienyl)vinyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C=CC2=CC=C(S2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)/C=C/C2=CC=C(S2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S/c21-18(24-13-14-5-2-1-3-6-14)16-7-4-11-19(16)12-10-15-8-9-17(25-15)20(22)23/h1-3,5-6,8-10,12,16H,4,7,11,13H2/b12-10+/t16-/m0/s1