[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-2-benzamido-3-(triphenylmethyl)sulfanyl-prop-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-2-benzamido-3-(triphenylmethyl)sulfanyl-prop-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (Z)-2-benzamido-3-tritylsulfanyl-prop-2-enoate CAS Name: (Z)-2-benzamido-3-[(triphenylmethyl)thio]-2-propenoic 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-3-tritylsulfanylprop-2-enoate Traditional Name: (Z)-2-benzamido-3-(tritylthio)acrylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C39H41NO3S MolecularWeight: 603.81274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CSC(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/SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C39H41NO3S/c1-28(2)34-25-24-29(3)26-36(34)43-38(42)35(40-37(41)30-16-8-4-9-17-30)27-44-39(31-18-10-5-11-19-31,32-20-12-6-13-21-32)33-22-14-7-15-23-33/h4-23,27-29,34,36H,24-26H2,1-3H3,(H,40,41)/b35-27-/t29-,34+,36-/m1/s1