methyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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