2-[4-[(5-bromanyl-3-methyl-thiophen-2-yl)methoxy]-2-methyl-phenoxy]butanoate

Systemtic Name: 2-[4-[(5-bromanyl-3-methyl-thiophen-2-yl)methoxy]-2-methyl-phenoxy]butanoate Openeye Name: 2-[4-[(5-bromo-3-methyl-2-thienyl)methoxy]-2-methyl-phenoxy]butanoate CAS Name: 2-[4-[(5-bromo-3-methyl-2-thiophenyl)methoxy]-2-methylphenoxy]butanoate IUPAC Name: 2-[4-[(5-bromo-3-methylthiophen-2-yl)methoxy]-2-methylphenoxy]butanoate Traditional Name: 2-[4-[(5-bromo-3-methyl-2-thienyl)methoxy]-2-methyl-phenoxy]butyrate Formula: C17H18BrO4S- MolecularWeight: 398.29142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=C(C=C(C=C1)OCC2=C(C=C(S2)Br)C)C

Isomeric SMILES

CCC(C(=O)[O-])OC1=C(C=C(C=C1)OCC2=C(C=C(S2)Br)C)C

InChI

InChI=1S/C17H19BrO4S/c1-4-13(17(19)20)22-14-6-5-12(7-10(14)2)21-9-15-11(3)8-16(18)23-15/h5-8,13H,4,9H2,1-3H3,(H,19,20)/p-1