ethyl 6-tert-butyl-2-[2-(4-tert-butylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[2-(4-tert-butylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[2-(4-tert-butylphenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[2-(4-tert-butylphenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[2-(4-tert-butylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[2-(4-tert-butylphenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H39NO4S MolecularWeight: 485.67856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H39NO4S/c1-9-32-26(31)23-21-15-12-19(28(6,7)8)16-22(21)34-25(23)29-24(30)17(2)33-20-13-10-18(11-14-20)27(3,4)5/h10-11,13-14,17,19H,9,12,15-16H2,1-8H3,(H,29,30)