2-(4-cyanophenoxy)ethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: 2-(4-cyanophenoxy)ethyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid 2-(4-cyanophenoxy)ethyl ester Formula: C24H18N2O6S MolecularWeight: 462.47452

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCOC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCOC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O6S/c1-33-22-11-8-17(14-21(22)26(29)30)23(27)19-4-2-3-5-20(19)24(28)32-13-12-31-18-9-6-16(15-25)7-10-18/h2-11,14H,12-13H2,1H3