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

Systemtic Name: (4-but-2-ynoxyphenyl)sulfanyl 2-(3-bromophenyl)propanoate Openeye Name: (4-but-2-ynoxyphenyl)sulfanyl 2-(3-bromophenyl)propanoate CAS Name: 2-(3-bromophenyl)propanoic acid [(4-but-2-ynoxyphenyl)thio] ester IUPAC Name: (4-but-2-ynoxyphenyl)sulfanyl 2-(3-bromophenyl)propanoate Traditional Name: 2-(3-bromophenyl)propionic acid [(4-but-2-ynoxyphenyl)thio] ester Formula: C19H17BrO3S MolecularWeight: 405.30548

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SOC(=O)C(C)C2=CC(=CC=C2)Br

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SOC(=O)C(C)C2=CC(=CC=C2)Br

InChI

InChI=1S/C19H17BrO3S/c1-3-4-12-22-17-8-10-18(11-9-17)24-23-19(21)14(2)15-6-5-7-16(20)13-15/h5-11,13-14H,12H2,1-2H3