ethyl 2-[[(2-methylphenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(2-methylphenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[o-tolylcarbamoyl(pentyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2-methylanilino)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-methylphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl(o-tolylcarbamoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C20H27N3O3S/c1-4-6-9-12-23(20(25)22-16-11-8-7-10-15(16)3)13-18-21-17(14-27-18)19(24)26-5-2/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,22,25)