(4-nitrophenyl)methyl 3-(1-sulfanylideneimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(1-sulfanylideneimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(1-thioxoimidazo[5,1-b]thiazol-3-yl)pyrrolidine-1-carboxylate CAS Name: 3-(1-sulfanylidene-3-imidazo[5,1-b]thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1-sulfanylideneimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolidine-1-carboxylate Traditional Name: 3-(1-thioxoimidazo[5,1-b]thiazol-3-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CS(=S)C3=CN=CN32)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1C2=CS(=S)C3=CN=CN32)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S2/c22-17(25-9-12-1-3-14(4-2-12)21(23)24)19-6-5-13(8-19)15-10-27(26)16-7-18-11-20(15)16/h1-4,7,10-11,13H,5-6,8-9H2