2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-ethoxyphenyl)butanoate

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-ethoxyphenyl)butanoate Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-ethoxyphenyl)butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-(4-ethoxyphenyl)butanoate IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-ethoxyphenyl)butanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-p-phenetyl-butyrate Formula: C22H23O4S- MolecularWeight: 383.48062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OCC)(C(=O)[O-])SC2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(C1=CC=C(C=C1)OCC)(C(=O)[O-])SC2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C22H24O4S/c1-4-7-16-26-19-12-14-20(15-13-19)27-22(5-2,21(23)24)17-8-10-18(11-9-17)25-6-3/h8-15H,5-6,16H2,1-3H3,(H,23,24)/p-1