ethyl 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]-pentyl-amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(2S)-2-(4-cyanophenoxy)-1-oxopropyl]-pentylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H27N3O4S/c1-5-7-8-13-25(22-24-15(3)19(30-22)21(27)28-6-2)20(26)16(4)29-18-11-9-17(14-23)10-12-18/h9-12,16H,5-8,13H2,1-4H3/t16-/m0/s1