(2-cyclohexylsulfanyl-5-nitro-phenyl)methyl (Z)-3-phenylprop-2-enoate

Systemtic Name: (2-cyclohexylsulfanyl-5-nitro-phenyl)methyl (Z)-3-phenylprop-2-enoate Openeye Name: (2-cyclohexylsulfanyl-5-nitro-phenyl)methyl (Z)-3-phenylprop-2-enoate CAS Name: (Z)-3-phenyl-2-propenoic acid [2-(cyclohexylthio)-5-nitrophenyl]methyl ester IUPAC Name: (2-cyclohexylsulfanyl-5-nitrophenyl)methyl (Z)-3-phenylprop-2-enoate Traditional Name: (Z)-3-phenylacrylic acid [2-(cyclohexylthio)-5-nitro-benzyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)/C=C\C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c24-22(14-11-17-7-3-1-4-8-17)27-16-18-15-19(23(25)26)12-13-21(18)28-20-9-5-2-6-10-20/h1,3-4,7-8,11-15,20H,2,5-6,9-10,16H2/b14-11-