ethyl 4-(4-bromophenyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(4-tert-butylphenoxy)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO4S MolecularWeight: 530.47382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(C)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(C)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H28BrNO4S/c1-6-31-25(30)22-21(17-7-11-19(27)12-8-17)15-33-24(22)28-23(29)16(2)32-20-13-9-18(10-14-20)26(3,4)5/h7-16H,6H2,1-5H3,(H,28,29)