ethyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H26BrNO5S MolecularWeight: 544.45734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=CC(=C(C(=C3)Br)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=CC(=C(C(=C3)Br)OC)OC

InChI

InChI=1S/C26H26BrNO5S/c1-5-16-7-10-18(11-8-16)19-15-34-25(23(19)26(30)33-6-2)28-22(29)12-9-17-13-20(27)24(32-4)21(14-17)31-3/h7-15H,5-6H2,1-4H3,(H,28,29)