ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-p-cumenyl-acryloyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-5-26-19(25)17-13(4)22-20(27-17)23-18(24)16(11-21)10-14-6-8-15(9-7-14)12(2)3/h6-10,12H,5H2,1-4H3,(H,22,23,24)/b16-10+