(4-bromophenyl) 2-(4-but-2-ynoxyphenyl)sulfanylbutanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=CC=C(C=C1)Br)SC2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(C(=O)OC1=CC=C(C=C1)Br)SC2=CC=C(C=C2)OCC#CC

InChI

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