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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

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