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

Systemtic Name: ethyl 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-chloro-4-fluorophenyl)carbamoyl-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H23ClFN3O3S MolecularWeight: 439.931323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3O3S/c1-2-28-19(26)17-12-29-18(24-17)11-25(14-6-4-3-5-7-14)20(27)23-13-8-9-16(22)15(21)10-13/h8-10,12,14H,2-7,11H2,1H3,(H,23,27)