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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-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-tert-butylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H32BrNO4S MolecularWeight: 522.49488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C25H32BrNO4S/c1-15-8-10-17-20(13-15)32-23(22(17)24(29)30-5)27-21(28)7-6-12-31-19-11-9-16(14-18(19)26)25(2,3)4/h9,11,14-15H,6-8,10,12-13H2,1-5H3,(H,27,28)