(1-phenyl-4-phenylsulfanyl-but-2-ynyl) ethanoate

Systemtic Name: (1-phenyl-4-phenylsulfanyl-but-2-ynyl) ethanoate Openeye Name: (1-phenyl-4-phenylsulfanyl-but-2-ynyl) acetate CAS Name: acetic acid [1-phenyl-4-(phenylthio)but-2-ynyl] ester IUPAC Name: (1-phenyl-4-phenylsulfanylbut-2-ynyl) acetate Traditional Name: acetic acid [1-phenyl-4-(phenylthio)but-2-ynyl] ester Formula: C18H16O2S MolecularWeight: 296.38344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CCSC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(C#CCSC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H16O2S/c1-15(19)20-18(16-9-4-2-5-10-16)13-8-14-21-17-11-6-3-7-12-17/h2-7,9-12,18H,14H2,1H3