2-[2-[(E)-but-2-enoxy]-3-methylsulfanyl-phenyl]ethynyl 2-ethylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC#CC2=C(C(=CC=C2)SC)OCC=CC

Isomeric SMILES

CCC1=CC=CC=C1C(=O)OC#CC2=C(C(=CC=C2)SC)OC/C=C/C

InChI

InChI=1S/C22H22O3S/c1-4-6-15-24-21-18(11-9-13-20(21)26-3)14-16-25-22(23)19-12-8-7-10-17(19)5-2/h4,6-13H,5,15H2,1-3H3/b6-4+