methyl (1S,4S,6S)-3-bromanyl-1-(3,4-dimethoxyphenyl)-4-oxidanyl-6-phenylsulfanyl-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S,4S,6S)-3-bromanyl-1-(3,4-dimethoxyphenyl)-4-oxidanyl-6-phenylsulfanyl-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S,4S,6S)-3-bromo-1-(3,4-dimethoxyphenyl)-4-hydroxy-6-phenylsulfanyl-cyclohex-2-ene-1-carboxylate CAS Name: (1S,4S,6S)-3-bromo-1-(3,4-dimethoxyphenyl)-4-hydroxy-6-(phenylthio)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4S,6S)-3-bromo-1-(3,4-dimethoxyphenyl)-4-hydroxy-6-phenylsulfanylcyclohex-2-ene-1-carboxylate Traditional Name: (1S,4S,6S)-3-bromo-1-(3,4-dimethoxyphenyl)-4-hydroxy-6-(phenylthio)cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C22H23BrO5S MolecularWeight: 479.38402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(C=C(C(CC2SC3=CC=CC=C3)O)Br)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@]2(C=C([C@H](C[C@@H]2SC3=CC=CC=C3)O)Br)C(=O)OC)OC

InChI

InChI=1S/C22H23BrO5S/c1-26-18-10-9-14(11-19(18)27-2)22(21(25)28-3)13-16(23)17(24)12-20(22)29-15-7-5-4-6-8-15/h4-11,13,17,20,24H,12H2,1-3H3/t17-,20-,22+/m0/s1