[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-2-benzamido-4-(triphenylmethyl)sulfanyl-but-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-2-benzamido-4-(triphenylmethyl)sulfanyl-but-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (Z)-2-benzamido-4-tritylsulfanyl-but-2-enoate CAS Name: (Z)-2-benzamido-4-[(triphenylmethyl)thio]-2-butenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (Z)-2-benzamido-4-tritylsulfanylbut-2-enoate Traditional Name: (Z)-2-benzamido-4-(tritylthio)but-2-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C40H43NO3S MolecularWeight: 617.83932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C(=C/CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C40H43NO3S/c1-29(2)35-25-24-30(3)28-37(35)44-39(43)36(41-38(42)31-16-8-4-9-17-31)26-27-45-40(32-18-10-5-11-19-32,33-20-12-6-13-21-33)34-22-14-7-15-23-34/h4-23,26,29-30,35,37H,24-25,27-28H2,1-3H3,(H,41,42)/b36-26-/t30-,35+,37-/m1/s1