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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC(=C(S2)C(=O)OCC)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC(=C(S2)C(=O)OCC)C)OC

InChI

InChI=1S/C24H29N3O5S/c1-5-7-8-9-12-32-19-11-10-17(14-20(19)30-4)13-18(15-25)22(28)27-24-26-16(3)21(33-24)23(29)31-6-2/h10-11,13-14H,5-9,12H2,1-4H3,(H,26,27,28)/b18-13+