(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CSC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CSC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S2/c24-20(27-11-16-13-29-19(21-16)15-7-10-28-12-15)14-5-8-22(9-6-14)17-3-1-2-4-18(17)23(25)26/h1-4,7,10,12-14H,5-6,8-9,11H2