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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-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(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

InChI

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