[(E,2R,3S,6R)-3-tert-butylsulfanyl-2,6-dimethyl-7-(triphenylmethyl)oxy-hept-4-enoyl] imidazole-1-carboxylate

Systemtic Name: [(E,2R,3S,6R)-3-tert-butylsulfanyl-2,6-dimethyl-7-(triphenylmethyl)oxy-hept-4-enoyl] imidazole-1-carboxylate Openeye Name: [(E,2R,3S,6R)-3-tert-butylsulfanyl-2,6-dimethyl-7-trityloxy-hept-4-enoyl] imidazole-1-carboxylate CAS Name: 1-imidazolecarboxylic acid [(E,2R,3S,6R)-3-(tert-butylthio)-2,6-dimethyl-1-oxo-7-(triphenylmethyl)oxyhept-4-enyl] ester IUPAC Name: [(E,2R,3S,6R)-3-tert-butylsulfanyl-2,6-dimethyl-7-trityloxyhept-4-enoyl] imidazole-1-carboxylate Traditional Name: imidazole-1-carboxylic acid [(E,2R,3S,6R)-3-(tert-butylthio)-2,6-dimethyl-7-trityloxy-hept-4-enoyl] ester Formula: C36H40N2O4S MolecularWeight: 596.7788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=CC(C(C)C(=O)OC(=O)N4C=CN=C4)SC(C)(C)C

Isomeric SMILES

C[C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/[C@@H]([C@H](C)C(=O)OC(=O)N4C=CN=C4)SC(C)(C)C

InChI

InChI=1S/C36H40N2O4S/c1-27(21-22-32(43-35(3,4)5)28(2)33(39)42-34(40)38-24-23-37-26-38)25-41-36(29-15-9-6-10-16-29,30-17-11-7-12-18-30)31-19-13-8-14-20-31/h6-24,26-28,32H,25H2,1-5H3/b22-21+/t27-,28+,32+/m1/s1