tert-butyl 2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: tert-butyl 2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: tert-butyl 2-[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]-oxomethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidine-1-carbonyl]benzoic acid tert-butyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O5S/c1-26(2,3)34-25(31)19-9-5-4-8-18(19)24(30)28-14-12-17(13-15-28)23-27-21(16-35-23)20-10-6-7-11-22(20)29(32)33/h4-11,16-17H,12-15H2,1-3H3