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

Systemtic Name: diethyl 5-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(4-chlorophenyl)-2-cyano-acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5S/c1-4-28-20(26)16-12(3)17(21(27)29-5-2)30-19(16)24-18(25)14(11-23)10-13-6-8-15(22)9-7-13/h6-10H,4-5H2,1-3H3,(H,24,25)