ethyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H26BrNO6S MolecularWeight: 596.48884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C29H26BrNO6S/c1-4-36-29(33)27-21(20-11-13-24(34-2)25(15-20)35-3)17-38-28(27)31-26(32)16-37-23-12-10-19(14-22(23)30)18-8-6-5-7-9-18/h5-15,17H,4,16H2,1-3H3,(H,31,32)