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

Systemtic Name: ethyl 2-[[(3-chloranyl-4-methyl-phenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-methylanilino)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-chloro-4-methylphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[(3-chloro-4-methyl-phenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C20H26ClN3O3S/c1-4-6-7-10-24(12-18-23-17(13-28-18)19(25)27-5-2)20(26)22-15-9-8-14(3)16(21)11-15/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,22,26)