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

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-ethyl-phenoxy)ethanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-ethyl-phenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-ethylphenoxy)-1-oxoethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-ethyl-phenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26BrNO4S MolecularWeight: 480.41514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCCC3C)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCCC3C)C(=O)OCC

InChI

InChI=1S/C22H26BrNO4S/c1-4-14-11-15(23)9-10-16(14)28-12-18(25)24-21-20(22(26)27-5-2)19-13(3)7-6-8-17(19)29-21/h9-11,13H,4-8,12H2,1-3H3,(H,24,25)