hexadecyl 2-[chloranyl(cyano)methyl]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: hexadecyl 2-[chloranyl(cyano)methyl]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: hexadecyl 2-[chloro(cyano)methyl]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[chloro(cyano)methyl]-4-phenyl-5-thiazolecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 2-[chloro(cyano)methyl]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[chloro(cyano)methyl]-4-phenyl-thiazole-5-carboxylic acid cetyl ester Formula: C28H39ClN2O2S MolecularWeight: 503.13946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(N=C(S1)C(C#N)Cl)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(N=C(S1)C(C#N)Cl)C2=CC=CC=C2

InChI

InChI=1S/C28H39ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-33-28(32)26-25(23-19-16-15-17-20-23)31-27(34-26)24(29)22-30/h15-17,19-20,24H,2-14,18,21H2,1H3