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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-allyloxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-prop-2-enoxyphenyl)prop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-allyloxyphenyl)-2-cyano-acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(C=C3)OCC=C)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(C=C3)OCC=C)/C#N

InChI

InChI=1S/C25H20N2O4S/c1-3-13-31-20-11-9-17(10-12-20)14-19(15-26)23(28)27-24-22(25(29)30-2)21(16-32-24)18-7-5-4-6-8-18/h3-12,14,16H,1,13H2,2H3,(H,27,28)/b19-14+