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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H28BrNO4S MolecularWeight: 494.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)Br

InChI

InChI=1S/C23H28BrNO4S/c1-13-6-9-17(16(24)10-13)29-12-19(26)25-21-20(22(27)28-5)15-8-7-14(23(2,3)4)11-18(15)30-21/h6,9-10,14H,7-8,11-12H2,1-5H3,(H,25,26)