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

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H36BrNO4S MolecularWeight: 550.54804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

InChI

InChI=1S/C27H36BrNO4S/c1-8-32-25(31)23-18-11-9-16(26(2,3)4)13-21(18)34-24(23)29-22(30)15-33-20-12-10-17(28)14-19(20)27(5,6)7/h10,12,14,16H,8-9,11,13,15H2,1-7H3,(H,29,30)