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

Systemtic Name: ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(4-propoxyphenyl)acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H24N2O4S/c1-3-14-32-21-12-10-18(11-13-21)15-20(17-27)24(29)28-25-22(26(30)31-4-2)16-23(33-25)19-8-6-5-7-9-19/h5-13,15-16H,3-4,14H2,1-2H3,(H,28,29)