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

Systemtic Name: ethyl 2-[[4-[(2-bromanylphenoxy)methyl]phenyl]carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-bromophenoxy)methyl]phenyl]-oxomethyl]amino]-5-(1-phenylethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate Traditional Name: 2-[[4-[(2-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=CC=C4Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4Br

InChI

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