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

Systemtic Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C21H23N3O4S/c1-4-6-11-28-17-9-7-15(8-10-17)12-16(13-22)19(25)24-21-23-14(3)18(29-21)20(26)27-5-2/h7-10,12H,4-6,11H2,1-3H3,(H,23,24,25)/b16-12+