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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

InChI

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