ethyl 2-[[(E)-2-cyano-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(3-allyloxyphenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(3-prop-2-enoxyphenyl)prop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-allyloxyphenyl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=CC=C2)OCC=C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC(=CC=C2)OCC=C)/C#N

InChI

InChI=1S/C22H22N2O4S/c1-5-10-28-18-9-7-8-16(12-18)11-17(13-23)20(25)24-21-19(22(26)27-6-2)14(3)15(4)29-21/h5,7-9,11-12H,1,6,10H2,2-4H3,(H,24,25)/b17-11+