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

Systemtic Name: ethyl 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-chloro-4-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H19ClFN3O3S MolecularWeight: 399.867463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClFN3O3S/c1-3-7-22(9-15-21-14(10-26-15)16(23)25-4-2)17(24)20-11-5-6-13(19)12(18)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,24)