(2R)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-thiophen-2-yl-propanoic acid

Systemtic Name: (2R)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-thiophen-2-yl-propanoic acid Openeye Name: (2R)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(2-thienyl)propanoic acid CAS Name: (2R)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-thiophen-2-ylpropanoic acid IUPAC Name: (2R)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-thiophen-2-ylpropanoic acid Traditional Name: (2R)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(2-thienyl)propionic acid Formula: C17H19BrO4S MolecularWeight: 399.29936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CC(C2=CC=CS2)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C[C@@H](C2=CC=CS2)C(=O)O)OC

InChI

InChI=1S/C17H19BrO4S/c1-3-6-22-16-13(18)9-11(10-14(16)21-2)8-12(17(19)20)15-5-4-7-23-15/h4-5,7,9-10,12H,3,6,8H2,1-2H3,(H,19,20)/t12-/m0/s1