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

Systemtic Name: ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H26BrNO4S MolecularWeight: 528.45794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

InChI

InChI=1S/C26H26BrNO4S/c1-5-31-22-11-10-20(27)14-19(22)9-12-23(29)28-25-24(26(30)32-6-2)21(15-33-25)18-8-7-16(3)17(4)13-18/h7-15H,5-6H2,1-4H3,(H,28,29)