ethyl 2-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-propoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OCC

InChI

InChI=1S/C20H20N2O4S/c1-3-10-26-16-7-5-14(6-8-16)12-15(13-21)18(23)22-19-17(9-11-27-19)20(24)25-4-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,23)/b15-12+