[(5E)-5-[[2-(ethanoylsulfanylmethyl)phenyl]methylidene]-11-methoxy-1-phenylsulfanyl-undeca-2,6-diyn-4-yl] ethanoate

Systemtic Name: [(5E)-5-[[2-(ethanoylsulfanylmethyl)phenyl]methylidene]-11-methoxy-1-phenylsulfanyl-undeca-2,6-diyn-4-yl] ethanoate Openeye Name: [(2E)-2-[[2-(acetylsulfanylmethyl)phenyl]methylene]-8-methoxy-1-(3-phenylsulfanylprop-1-ynyl)oct-3-ynyl] acetate CAS Name: acetic acid [(5E)-5-[[2-[(acetylthio)methyl]phenyl]methylidene]-11-methoxy-1-(phenylthio)undeca-2,6-diyn-4-yl] ester IUPAC Name: [(5E)-5-[[2-(acetylsulfanylmethyl)phenyl]methylidene]-11-methoxy-1-phenylsulfanylundeca-2,6-diyn-4-yl] acetate Traditional Name: acetic acid [(2E)-2-[2-[(acetylthio)methyl]benzylidene]-8-methoxy-1-[3-(phenylthio)prop-1-ynyl]oct-3-ynyl] ester Formula: C30H32O4S2 MolecularWeight: 520.70268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CCSC1=CC=CC=C1)C(=CC2=CC=CC=C2CSC(=O)C)C#CCCCCOC

Isomeric SMILES

CC(=O)OC(C#CCSC1=CC=CC=C1)/C(=C/C2=CC=CC=C2CSC(=O)C)/C#CCCCCOC

InChI

InChI=1S/C30H32O4S2/c1-24(31)34-30(19-13-21-35-29-17-8-6-9-18-29)27(15-7-4-5-12-20-33-3)22-26-14-10-11-16-28(26)23-36-25(2)32/h6,8-11,14,16-18,22,30H,4-5,12,20-21,23H2,1-3H3/b27-22+