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

Systemtic Name: methyl 2-[[(2-ethoxyphenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(2-ethoxyphenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2-ethoxyanilino)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-ethoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl(o-phenetylcarbamoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=CC=C2OCC

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=CC=C2OCC

InChI

InChI=1S/C20H27N3O4S/c1-4-6-9-12-23(13-18-21-16(14-28-18)19(24)26-3)20(25)22-15-10-7-8-11-17(15)27-5-2/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,22,25)