(5-phenyl-1-phenylsulfanyl-pent-1-yn-3-yl) 2,2-dimethylpropanoate

Systemtic Name: (5-phenyl-1-phenylsulfanyl-pent-1-yn-3-yl) 2,2-dimethylpropanoate Openeye Name: (1-phenethyl-3-phenylsulfanyl-prop-2-ynyl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-phenyl-1-(phenylthio)pent-1-yn-3-yl] ester IUPAC Name: (5-phenyl-1-phenylsulfanylpent-1-yn-3-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-phenethyl-3-(phenylthio)prop-2-ynyl] ester Formula: C22H24O2S MolecularWeight: 352.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(CCC1=CC=CC=C1)C#CSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OC(CCC1=CC=CC=C1)C#CSC2=CC=CC=C2

InChI

InChI=1S/C22H24O2S/c1-22(2,3)21(23)24-19(15-14-18-10-6-4-7-11-18)16-17-25-20-12-8-5-9-13-20/h4-13,19H,14-15H2,1-3H3