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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2-prop-2-ynoxyphenyl)prop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-propargyloxyphenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC=CC=C2OCC#C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC=CC=C2OCC#C)/C#N

InChI

InChI=1S/C22H20N2O4S/c1-5-11-28-18-10-8-7-9-16(18)12-17(13-23)20(25)24-21-19(22(26)27-6-2)14(3)15(4)29-21/h1,7-10,12H,6,11H2,2-4H3,(H,24,25)/b17-12+