(4-but-2-ynoxyphenyl)sulfanyl 2-(3-bromophenyl)butanoate

Systemtic Name: (4-but-2-ynoxyphenyl)sulfanyl 2-(3-bromophenyl)butanoate Openeye Name: (4-but-2-ynoxyphenyl)sulfanyl 2-(3-bromophenyl)butanoate CAS Name: 2-(3-bromophenyl)butanoic acid [(4-but-2-ynoxyphenyl)thio] ester IUPAC Name: (4-but-2-ynoxyphenyl)sulfanyl 2-(3-bromophenyl)butanoate Traditional Name: 2-(3-bromophenyl)butyric acid [(4-but-2-ynoxyphenyl)thio] ester Formula: C20H19BrO3S MolecularWeight: 419.33206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)Br)C(=O)OSC2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(C1=CC(=CC=C1)Br)C(=O)OSC2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C20H19BrO3S/c1-3-5-13-23-17-9-11-18(12-10-17)25-24-20(22)19(4-2)15-7-6-8-16(21)14-15/h6-12,14,19H,4,13H2,1-2H3