(2R)-3-(5-bromanyl-3-methoxy-2-propoxy-phenyl)-2-thiophen-2-yl-propanoate

Systemtic Name: (2R)-3-(5-bromanyl-3-methoxy-2-propoxy-phenyl)-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-(5-bromo-3-methoxy-2-propoxy-phenyl)-2-(2-thienyl)propanoate CAS Name: (2R)-3-(5-bromo-3-methoxy-2-propoxyphenyl)-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-(5-bromo-3-methoxy-2-propoxyphenyl)-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-(5-bromo-3-methoxy-2-propoxy-phenyl)-2-(2-thienyl)propionate Formula: C17H18BrO4S- MolecularWeight: 398.29142

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1CC(C2=CC=CS2)C(=O)[O-])Br)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1C[C@@H](C2=CC=CS2)C(=O)[O-])Br)OC

InChI

InChI=1S/C17H19BrO4S/c1-3-6-22-16-11(8-12(18)10-14(16)21-2)9-13(17(19)20)15-5-4-7-23-15/h4-5,7-8,10,13H,3,6,9H2,1-2H3,(H,19,20)/p-1/t13-/m0/s1