diethyl 5-[[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-cyano-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-cyano-3-(4-methoxyphenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(=CC2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C22H22N2O6S/c1-5-29-21(26)17-13(3)18(22(27)30-6-2)31-20(17)24-19(25)15(12-23)11-14-7-9-16(28-4)10-8-14/h7-11H,5-6H2,1-4H3,(H,24,25)