(4-nitrophenyl)methyl 3-imidazo[5,1-b][1,3]thiazol-7-ylsulfanylpyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-imidazo[5,1-b][1,3]thiazol-7-ylsulfanylpyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-imidazo[5,1-b]thiazol-7-ylsulfanylpyrrolidine-1-carboxylate CAS Name: 3-(7-imidazo[5,1-b]thiazolylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-imidazo[5,1-b][1,3]thiazol-7-ylsulfanylpyrrolidine-1-carboxylate Traditional Name: 3-(imidazo[5,1-b]thiazol-7-ylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC2=C3N(C=CS3)C=N2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1SC2=C3N(C=CS3)C=N2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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