ethynyl 4-[2-[(E)-but-2-enoxy]-3-methylsulfanyl-phenyl]-2-ethyl-benzoate

Systemtic Name: ethynyl 4-[2-[(E)-but-2-enoxy]-3-methylsulfanyl-phenyl]-2-ethyl-benzoate Openeye Name: ethynyl 4-[2-[(E)-but-2-enoxy]-3-methylsulfanyl-phenyl]-2-ethyl-benzoate CAS Name: 4-[2-[(E)-but-2-enoxy]-3-(methylthio)phenyl]-2-ethylbenzoic acid ethynyl ester IUPAC Name: ethynyl 4-[2-[(E)-but-2-enoxy]-3-methylsulfanylphenyl]-2-ethylbenzoate Traditional Name: 4-[2-[(E)-but-2-enoxy]-3-(methylthio)phenyl]-2-ethyl-benzoic acid ethynyl ester Formula: C22H22O3S MolecularWeight: 366.47328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=C(C(=CC=C2)SC)OCC=CC)C(=O)OC#C

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=C(C(=CC=C2)SC)OC/C=C/C)C(=O)OC#C

InChI

InChI=1S/C22H22O3S/c1-5-8-14-25-21-18(10-9-11-20(21)26-4)17-12-13-19(16(6-2)15-17)22(23)24-7-3/h3,5,8-13,15H,6,14H2,1-2,4H3/b8-5+