tert-butyl 4-[3-methyl-2-methylimino-4-[[5-methyl-1-(triphenylmethyl)pyrazol-3-yl]-oxidanyl-methyl]-1,3-thiazol-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-methyl-2-methylimino-4-[[5-methyl-1-(triphenylmethyl)pyrazol-3-yl]-oxidanyl-methyl]-1,3-thiazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[hydroxy-(5-methyl-1-trityl-pyrazol-3-yl)methyl]-3-methyl-2-methylimino-thiazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[4-[hydroxy-[5-methyl-1-(triphenylmethyl)-3-pyrazolyl]methyl]-3-methyl-2-methylimino-5-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[hydroxy-(5-methyl-1-tritylpyrazol-3-yl)methyl]-3-methyl-2-methylimino-1,3-thiazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[hydroxy-(5-methyl-1-trityl-pyrazol-3-yl)methyl]-3-methyl-2-methylimino-4-thiazolin-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C39H45N5O3S MolecularWeight: 663.8713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=C(SC(=NC)N5C)C6CCN(CC6)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC(=NN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=C(SC(=NC)N5C)C6CCN(CC6)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C39H45N5O3S/c1-27-26-32(34(45)33-35(48-36(40-5)42(33)6)28-22-24-43(25-23-28)37(46)47-38(2,3)4)41-44(27)39(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-21,26,28,34,45H,22-25H2,1-6H3