(2-chloranyl-6-fluoranyl-phenyl)methyl 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-phenyl-2-(2-thenoylamino)propionic acid (2-chloro-6-fluoro-benzyl) ester Formula: C21H17ClFNO3S MolecularWeight: 417.880983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=C(C=CC=C2Cl)F)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=C(C=CC=C2Cl)F)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H17ClFNO3S/c22-16-8-4-9-17(23)15(16)13-27-21(26)18(12-14-6-2-1-3-7-14)24-20(25)19-10-5-11-28-19/h1-11,18H,12-13H2,(H,24,25)