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

Systemtic Name: (4-nitrophenyl)methyl 4-imidazo[5,1-b][1,3]thiazol-7-ylsulfanylpiperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-imidazo[5,1-b]thiazol-7-ylsulfanylpiperidine-1-carboxylate CAS Name: 4-(7-imidazo[5,1-b]thiazolylthio)-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-imidazo[5,1-b][1,3]thiazol-7-ylsulfanylpiperidine-1-carboxylate Traditional Name: 4-(imidazo[5,1-b]thiazol-7-ylthio)piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=C3N(C=CS3)C=N2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1SC2=C3N(C=CS3)C=N2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c23-18(26-11-13-1-3-14(4-2-13)22(24)25)20-7-5-15(6-8-20)28-16-17-21(12-19-16)9-10-27-17/h1-4,9-10,12,15H,5-8,11H2