methyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C29H34BrNO5S MolecularWeight: 588.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br)C

InChI

InChI=1S/C29H34BrNO5S/c1-7-35-21-13-10-19(11-14-21)25-18(2)37-27(26(25)28(33)34-6)31-24(32)9-8-16-36-23-15-12-20(17-22(23)30)29(3,4)5/h10-15,17H,7-9,16H2,1-6H3,(H,31,32)