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

Systemtic Name: methyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H30BrNO4S MolecularWeight: 508.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C)Br

InChI

InChI=1S/C24H30BrNO4S/c1-13-9-16(25)10-14(2)21(13)30-12-19(27)26-22-20(23(28)29-6)17-8-7-15(24(3,4)5)11-18(17)31-22/h9-10,15H,7-8,11-12H2,1-6H3,(H,26,27)