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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-6-methyl-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:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC)Br

InChI

InChI=1S/C23H28BrNO4S/c1-4-15-8-10-18(17(24)13-15)29-11-5-6-20(26)25-22-21(23(27)28-3)16-9-7-14(2)12-19(16)30-22/h8,10,13-14H,4-7,9,11-12H2,1-3H3,(H,25,26)