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

Systemtic Name: ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C21H22BrNO5S/c1-5-27-16-9-8-15(22)11-14(16)7-10-17(25)23-20-18(21(26)28-6-2)12(3)19(29-20)13(4)24/h7-11H,5-6H2,1-4H3,(H,23,25)