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

Systemtic Name: ethyl 5-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(4-butoxyphenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(4-butoxyphenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

InChI

InChI=1S/C22H24N2O4S/c1-4-6-13-28-17-10-7-16(8-11-17)9-12-19(25)24-21-18(14-23)15(3)20(29-21)22(26)27-5-2/h7-12H,4-6,13H2,1-3H3,(H,24,25)