methyl 2-[[(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3,4-diethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3,4-diethoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)OCC

InChI

InChI=1S/C20H20N2O5S/c1-4-26-16-7-6-13(11-17(16)27-5-2)10-14(12-21)18(23)22-19-15(8-9-28-19)20(24)25-3/h6-11H,4-5H2,1-3H3,(H,22,23)/b14-10+