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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H28BrNO4S MolecularWeight: 494.44172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

InChI

InChI=1S/C23H28BrNO4S/c1-14(2)15-10-11-18(17(24)13-15)29-12-6-9-20(26)25-22-21(23(27)28-3)16-7-4-5-8-19(16)30-22/h10-11,13-14H,4-9,12H2,1-3H3,(H,25,26)