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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H36BrNO4S MolecularWeight: 550.54804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36BrNO4S/c1-16(2)17-9-12-21(20(28)14-17)33-13-7-8-23(30)29-25-24(26(31)32-6)19-11-10-18(27(3,4)5)15-22(19)34-25/h9,12,14,16,18H,7-8,10-11,13,15H2,1-6H3,(H,29,30)