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

Systemtic Name: methyl 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H17ClFN3O3S MolecularWeight: 385.840883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFN3O3S/c1-3-6-21(8-14-20-13(9-25-14)15(22)24-2)16(23)19-10-4-5-12(18)11(17)7-10/h4-5,7,9H,3,6,8H2,1-2H3,(H,19,23)