ethyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H28BrNO4S MolecularWeight: 494.44172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3C)C(=O)OCC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3C)C(=O)OCC)Br

InChI

InChI=1S/C23H28BrNO4S/c1-4-7-15-10-11-17(16(24)12-15)29-13-19(26)25-22-21(23(27)28-5-2)20-14(3)8-6-9-18(20)30-22/h10-12,14H,4-9,13H2,1-3H3,(H,25,26)