2-methylsulfanylethyl 4-[2-[4-[2-(4-ethanoylsulfanylphenyl)ethynyl]-3-nitro-phenyl]ethynyl]benzoate

Systemtic Name: 2-methylsulfanylethyl 4-[2-[4-[2-(4-ethanoylsulfanylphenyl)ethynyl]-3-nitro-phenyl]ethynyl]benzoate Openeye Name: 2-methylsulfanylethyl 4-[2-[4-[2-(4-acetylsulfanylphenyl)ethynyl]-3-nitro-phenyl]ethynyl]benzoate CAS Name: 4-[2-[4-[2-[4-(acetylthio)phenyl]ethynyl]-3-nitrophenyl]ethynyl]benzoic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 4-[2-[4-[2-(4-acetylsulfanylphenyl)ethynyl]-3-nitrophenyl]ethynyl]benzoate Traditional Name: 4-[2-[4-[2-[4-(acetylthio)phenyl]ethynyl]-3-nitro-phenyl]ethynyl]benzoic acid 2-(methylthio)ethyl ester Formula: C28H21NO5S2 MolecularWeight: 515.60004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)OCCSC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)OCCSC)[N+](=O)[O-]

InChI

InChI=1S/C28H21NO5S2/c1-20(30)36-26-15-9-22(10-16-26)5-11-24-12-8-23(19-27(24)29(32)33)4-3-21-6-13-25(14-7-21)28(31)34-17-18-35-2/h6-10,12-16,19H,17-18H2,1-2H3