methyl 2-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-chlorophenyl)-2-cyano-acryloyl]amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C(=CC3=CC=C(C=C3)Cl)C#N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C(=CC3=CC=C(C=C3)Cl)C#N)C

InChI

InChI=1S/C25H21ClN2O4S/c1-4-32-20-11-7-17(8-12-20)21-15(2)33-24(22(21)25(30)31-3)28-23(29)18(14-27)13-16-5-9-19(26)10-6-16/h5-13H,4H2,1-3H3,(H,28,29)