[(4E)-4-[[2-(ethanoylsulfanylmethyl)phenyl]methylidene]-10-methoxy-1-phenyl-deca-1,5-diyn-3-yl] ethanoate

Systemtic Name: [(4E)-4-[[2-(ethanoylsulfanylmethyl)phenyl]methylidene]-10-methoxy-1-phenyl-deca-1,5-diyn-3-yl] ethanoate Openeye Name: [(2E)-2-[[2-(acetylsulfanylmethyl)phenyl]methylene]-8-methoxy-1-(2-phenylethynyl)oct-3-ynyl] acetate CAS Name: acetic acid [(4E)-4-[[2-[(acetylthio)methyl]phenyl]methylidene]-10-methoxy-1-phenyldeca-1,5-diyn-3-yl] ester IUPAC Name: [(4E)-4-[[2-(acetylsulfanylmethyl)phenyl]methylidene]-10-methoxy-1-phenyldeca-1,5-diyn-3-yl] acetate Traditional Name: acetic acid [(2E)-2-[2-[(acetylthio)methyl]benzylidene]-8-methoxy-1-(2-phenylethynyl)oct-3-ynyl] ester Formula: C29H30O4S MolecularWeight: 474.6111

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CC1=CC=CC=C1)C(=CC2=CC=CC=C2CSC(=O)C)C#CCCCCOC

Isomeric SMILES

CC(=O)OC(C#CC1=CC=CC=C1)/C(=C/C2=CC=CC=C2CSC(=O)C)/C#CCCCCOC

InChI

InChI=1S/C29H30O4S/c1-23(30)33-29(19-18-25-13-7-6-8-14-25)27(16-9-4-5-12-20-32-3)21-26-15-10-11-17-28(26)22-34-24(2)31/h6-8,10-11,13-15,17,21,29H,4-5,12,20,22H2,1-3H3/b27-21+