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

Systemtic Name: ethyl 4-cyano-5-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2-cyano-3-p-cumenyl-acryloyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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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#N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-5-28-22(27)19-14(4)18(12-24)21(29-19)25-20(26)17(11-23)10-15-6-8-16(9-7-15)13(2)3/h6-10,13H,5H2,1-4H3,(H,25,26)