ethyl 2-[[4-[(4-bromanylphenoxy)methyl]phenyl]carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(4-bromanylphenoxy)methyl]phenyl]carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-bromophenoxy)methyl]phenyl]-oxomethyl]amino]-5-(1-phenylethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate Traditional Name: 2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H26BrNO4S MolecularWeight: 564.49004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C29H26BrNO4S/c1-3-34-29(33)25-17-26(19(2)21-7-5-4-6-8-21)36-28(25)31-27(32)22-11-9-20(10-12-22)18-35-24-15-13-23(30)14-16-24/h4-17,19H,3,18H2,1-2H3,(H,31,32)