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

Systemtic Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[3-(2-butoxyphenyl)-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[3-(2-butoxyphenyl)acryloyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C23H27NO5S/c1-5-7-14-29-18-11-9-8-10-17(18)12-13-19(26)24-22-20(23(27)28-6-2)15(3)21(30-22)16(4)25/h8-13H,5-7,14H2,1-4H3,(H,24,26)