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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-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:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC)Br

InChI

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