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

Systemtic Name: ethyl 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H17ClFN3O3S MolecularWeight: 397.851583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H17ClFN3O3S/c1-2-25-16(23)14-9-26-15(21-14)8-22(11-4-5-11)17(24)20-10-3-6-13(19)12(18)7-10/h3,6-7,9,11H,2,4-5,8H2,1H3,(H,20,24)