methyl 3-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(5-bromo-2-fluoro-phenyl)methylamino]-3-(2-thienyl)propanoate CAS Name: 3-[(5-bromo-2-fluorophenyl)methylamino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-fluorophenyl)methylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(5-bromo-2-fluoro-benzyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C15H15BrFNO2S MolecularWeight: 372.252503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NCC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C15H15BrFNO2S/c1-20-15(19)8-13(14-3-2-6-21-14)18-9-10-7-11(16)4-5-12(10)17/h2-7,13,18H,8-9H2,1H3