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

Systemtic Name: ethyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C=CC2=CC(=C(C(=C2)Br)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C=CC2=CC(=C(C(=C2)Br)OC)OC

InChI

InChI=1S/C21H22BrNO6S/c1-6-29-21(26)17-11(2)19(12(3)24)30-20(17)23-16(25)8-7-13-9-14(22)18(28-5)15(10-13)27-4/h7-10H,6H2,1-5H3,(H,23,25)