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

Systemtic Name: methyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C)Br

InChI

InChI=1S/C21H24BrNO4S/c1-11-9-14(22)10-12(2)18(11)27-13(3)19(24)23-20-17(21(25)26-4)15-7-5-6-8-16(15)28-20/h9-10,13H,5-8H2,1-4H3,(H,23,24)