bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,3R,4R)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,3R,4R)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S,3R,4R)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate CAS Name: (2S,3R,4R)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,3R,4R)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate Traditional Name: (2S,3R,4R)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C39H52O4S MolecularWeight: 616.89278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C(C=C(SC2C(=O)OC3CC(CCC3C(C)C)C)C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2[C@H](C=C(S[C@@H]2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C39H52O4S/c1-24(2)30-19-17-26(5)21-33(30)42-38(40)36-32(28-13-9-7-10-14-28)23-35(29-15-11-8-12-16-29)44-37(36)39(41)43-34-22-27(6)18-20-31(34)25(3)4/h7-16,23-27,30-34,36-37H,17-22H2,1-6H3/t26-,27-,30+,31+,32-,33-,34-,36+,37+/m1/s1