tert-butyl 2-[(Z)-[4-ethanoylsulfanyl-1-(triphenylmethyl)piperidin-3-ylidene]methyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[(Z)-[4-ethanoylsulfanyl-1-(triphenylmethyl)piperidin-3-ylidene]methyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-[(Z)-(4-acetylsulfanyl-1-trityl-3-piperidylidene)methyl]imidazole-1-carboxylate CAS Name: 2-[(Z)-[4-(acetylthio)-1-(triphenylmethyl)-3-piperidinylidene]methyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(Z)-(4-acetylsulfanyl-1-tritylpiperidin-3-ylidene)methyl]imidazole-1-carboxylate Traditional Name: 2-[(Z)-[4-(acetylthio)-1-trityl-3-piperidylidene]methyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C35H37N3O3S MolecularWeight: 579.75158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=NC=CN2C(=O)OC(C)(C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=NC=CN2C(=O)OC(C)(C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H37N3O3S/c1-26(39)42-31-20-22-37(25-27(31)24-32-36-21-23-38(32)33(40)41-34(2,3)4)35(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-19,21,23-24,31H,20,22,25H2,1-4H3/b27-24-