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

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H34BrNO4S MolecularWeight: 536.52146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC)Br

InChI

InChI=1S/C26H34BrNO4S/c1-6-8-16-9-12-20(19(27)13-16)32-15-22(29)28-24-23(25(30)31-7-2)18-11-10-17(26(3,4)5)14-21(18)33-24/h9,12-13,17H,6-8,10-11,14-15H2,1-5H3,(H,28,29)