[(1R,4S,5R)-5-ethoxy-4-methoxycarbonyl-4-(4-methylphenyl)sulfanyl-cyclohex-2-en-1-yl] 2,4,6-trimethylbenzoate

Systemtic Name: [(1R,4S,5R)-5-ethoxy-4-methoxycarbonyl-4-(4-methylphenyl)sulfanyl-cyclohex-2-en-1-yl] 2,4,6-trimethylbenzoate Openeye Name: [(1R,4S,5R)-5-ethoxy-4-methoxycarbonyl-4-(p-tolylsulfanyl)cyclohex-2-en-1-yl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(1R,4S,5R)-5-ethoxy-4-methoxycarbonyl-4-[(4-methylphenyl)thio]-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,4S,5R)-5-ethoxy-4-methoxycarbonyl-4-(4-methylphenyl)sulfanylcyclohex-2-en-1-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(1R,4S,5R)-4-carbomethoxy-5-ethoxy-4-(p-tolylthio)cyclohex-2-en-1-yl] ester Formula: C27H32O5S MolecularWeight: 468.60498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(C=CC1(C(=O)OC)SC2=CC=C(C=C2)C)OC(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCO[C@@H]1C[C@H](C=C[C@]1(C(=O)OC)SC2=CC=C(C=C2)C)OC(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C27H32O5S/c1-7-31-23-16-21(32-25(28)24-19(4)14-18(3)15-20(24)5)12-13-27(23,26(29)30-6)33-22-10-8-17(2)9-11-22/h8-15,21,23H,7,16H2,1-6H3/t21-,23+,27-/m0/s1