bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,3R,4R)-4-phenyl-6-thiophen-2-yl-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-phenyl-6-thiophen-2-yl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S,3R,4R)-4-phenyl-6-(2-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate CAS Name: (2S,3R,4R)-4-phenyl-6-thiophen-2-yl-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-phenyl-6-thiophen-2-yl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate Traditional Name: (2S,3R,4R)-4-phenyl-6-(2-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C37H50O4S2 MolecularWeight: 622.9205

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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=CS4)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=CS4)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C37H50O4S2/c1-22(2)27-16-14-24(5)19-30(27)40-36(38)34-29(26-11-8-7-9-12-26)21-33(32-13-10-18-42-32)43-35(34)37(39)41-31-20-25(6)15-17-28(31)23(3)4/h7-13,18,21-25,27-31,34-35H,14-17,19-20H2,1-6H3/t24-,25-,27+,28+,29-,30-,31-,34+,35+/m1/s1