methyl (E,5S,6R)-6-(2,5-dimethoxy-3-nitro-phenyl)-5-methyl-6-phenylsulfanyl-hex-3-enoate

Systemtic Name: methyl (E,5S,6R)-6-(2,5-dimethoxy-3-nitro-phenyl)-5-methyl-6-phenylsulfanyl-hex-3-enoate Openeye Name: methyl (E,5S,6R)-6-(2,5-dimethoxy-3-nitro-phenyl)-5-methyl-6-phenylsulfanyl-hex-3-enoate CAS Name: (E,5S,6R)-6-(2,5-dimethoxy-3-nitrophenyl)-5-methyl-6-(phenylthio)-3-hexenoic acid methyl ester IUPAC Name: methyl (E,5S,6R)-6-(2,5-dimethoxy-3-nitrophenyl)-5-methyl-6-phenylsulfanylhex-3-enoate Traditional Name: (E,5S,6R)-6-(2,5-dimethoxy-3-nitro-phenyl)-5-methyl-6-(phenylthio)hex-3-enoic acid methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCC(=O)OC)C(C1=CC(=CC(=C1OC)[N+](=O)[O-])OC)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H](/C=C/CC(=O)OC)[C@H](C1=CC(=CC(=C1OC)[N+](=O)[O-])OC)SC2=CC=CC=C2

InChI

InChI=1S/C22H25NO6S/c1-15(9-8-12-20(24)28-3)22(30-17-10-6-5-7-11-17)18-13-16(27-2)14-19(23(25)26)21(18)29-4/h5-11,13-15,22H,12H2,1-4H3/b9-8+/t15-,22+/m0/s1