tert-butyl 2-[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: tert-butyl 2-[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: tert-butyl 2-[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[4-[4-(4-bromophenyl)-5-methyl-2-thiazolyl]-1-piperidinyl]-oxomethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]piperidine-1-carbonyl]benzoic acid tert-butyl ester Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)OC(C)(C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(N=C(S1)C2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)OC(C)(C)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H29BrN2O3S/c1-17-23(18-9-11-20(28)12-10-18)29-24(34-17)19-13-15-30(16-14-19)25(31)21-7-5-6-8-22(21)26(32)33-27(2,3)4/h5-12,19H,13-16H2,1-4H3