2-[2-(3-methylsulfanylbutoxy)phenyl]ethynyl 2-ethylbenzoate

Systemtic Name: 2-[2-(3-methylsulfanylbutoxy)phenyl]ethynyl 2-ethylbenzoate Openeye Name: 2-[2-(3-methylsulfanylbutoxy)phenyl]ethynyl 2-ethylbenzoate CAS Name: 2-ethylbenzoic acid 2-[2-[3-(methylthio)butoxy]phenyl]ethynyl ester IUPAC Name: 2-[2-(3-methylsulfanylbutoxy)phenyl]ethynyl 2-ethylbenzoate Traditional Name: 2-ethylbenzoic acid 2-[2-[3-(methylthio)butoxy]phenyl]ethynyl ester Formula: C22H24O3S MolecularWeight: 368.48916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC#CC2=CC=CC=C2OCCC(C)SC

Isomeric SMILES

CCC1=CC=CC=C1C(=O)OC#CC2=CC=CC=C2OCCC(C)SC

InChI

InChI=1S/C22H24O3S/c1-4-18-9-5-7-11-20(18)22(23)25-16-14-19-10-6-8-12-21(19)24-15-13-17(2)26-3/h5-12,17H,4,13,15H2,1-3H3