ethyl 4-methyl-2-[pentyl-[4-(pyrazol-1-ylmethyl)phenyl]carbonyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[pentyl-[4-(pyrazol-1-ylmethyl)phenyl]carbonyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[pentyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[oxo-[4-(1-pyrazolylmethyl)phenyl]methyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[pentyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C23H28N4O3S/c1-4-6-7-15-27(23-25-17(3)20(31-23)22(29)30-5-2)21(28)19-11-9-18(10-12-19)16-26-14-8-13-24-26/h8-14H,4-7,15-16H2,1-3H3