ethyl 4-cyano-3-methyl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[(E)-3-p-cumenylacryloyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)C(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)C(C)C)C#N)C

InChI

InChI=1S/C21H22N2O3S/c1-5-26-21(25)19-14(4)17(12-22)20(27-19)23-18(24)11-8-15-6-9-16(10-7-15)13(2)3/h6-11,13H,5H2,1-4H3,(H,23,24)/b11-8+