ethyl 2-[(2-cyano-3-phenyl-prop-2-enoyl)amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-cyano-3-phenyl-prop-2-enoyl)amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(2-cyano-3-phenyl-prop-2-enoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[(2-cyano-1-oxo-3-phenylprop-2-enyl)amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(2-cyano-3-phenylprop-2-enoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(2-cyano-3-phenyl-acryloyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c1-4-26-20(25)16-12(2)17(13(3)23)27-19(16)22-18(24)15(11-21)10-14-8-6-5-7-9-14/h5-10H,4H2,1-3H3,(H,22,24)