(2R)-3-(3-bromanyl-4-butoxy-phenyl)-2-thiophen-2-yl-propanoate

Systemtic Name: (2R)-3-(3-bromanyl-4-butoxy-phenyl)-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-(3-bromo-4-butoxy-phenyl)-2-(2-thienyl)propanoate CAS Name: (2R)-3-(3-bromo-4-butoxyphenyl)-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-(3-bromo-4-butoxyphenyl)-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-(3-bromo-4-butoxy-phenyl)-2-(2-thienyl)propionate Formula: C17H18BrO3S- MolecularWeight: 382.29202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CC(C2=CC=CS2)C(=O)[O-])Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C[C@@H](C2=CC=CS2)C(=O)[O-])Br

InChI

InChI=1S/C17H19BrO3S/c1-2-3-8-21-15-7-6-12(11-14(15)18)10-13(17(19)20)16-5-4-9-22-16/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,19,20)/p-1/t13-/m0/s1