methyl (2S,3R)-2,3-bis[1-(4-methylphenyl)-1-oxidanyl-ethyl]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl (2S,3R)-2,3-bis[1-(4-methylphenyl)-1-oxidanyl-ethyl]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl (2S,3R)-2,3-bis[1-hydroxy-1-(p-tolyl)ethyl]-2,3-dihydrothiophene-5-carboxylate CAS Name: (2S,3R)-2,3-bis[1-hydroxy-1-(4-methylphenyl)ethyl]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2,3-bis[1-hydroxy-1-(4-methylphenyl)ethyl]-2,3-dihydrothiophene-5-carboxylate Traditional Name: (2S,3R)-2,3-bis[1-hydroxy-1-(p-tolyl)ethyl]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C24H28O4S MolecularWeight: 412.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(C2C=C(SC2C(C)(C3=CC=C(C=C3)C)O)C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C)([C@H]2C=C(S[C@@H]2C(C)(C3=CC=C(C=C3)C)O)C(=O)OC)O

InChI

InChI=1S/C24H28O4S/c1-15-6-10-17(11-7-15)23(3,26)19-14-20(22(25)28-5)29-21(19)24(4,27)18-12-8-16(2)9-13-18/h6-14,19,21,26-27H,1-5H3/t19-,21-,23?,24?/m0/s1