tert-butyl 3-[4-(2-sulfanylethynyl)phenyl]propanoate

Systemtic Name: tert-butyl 3-[4-(2-sulfanylethynyl)phenyl]propanoate Openeye Name: tert-butyl 3-[4-(2-sulfanylethynyl)phenyl]propanoate CAS Name: 3-[4-(2-mercaptoethynyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(2-sulfanylethynyl)phenyl]propanoate Traditional Name: 3-[4-(2-mercaptoethynyl)phenyl]propionic acid tert-butyl ester Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)C#CS

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)C#CS

InChI

InChI=1S/C15H18O2S/c1-15(2,3)17-14(16)9-8-12-4-6-13(7-5-12)10-11-18/h4-7,18H,8-9H2,1-3H3