methyl 3-[(5-iodanylfuran-2-yl)methylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(5-iodanylfuran-2-yl)methylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(5-iodo-2-furyl)methylamino]-3-(2-thienyl)propanoate CAS Name: 3-[(5-iodo-2-furanyl)methylamino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(5-iodofuran-2-yl)methylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(5-iodo-2-furyl)methylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C13H14INO3S MolecularWeight: 391.22463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NCC2=CC=C(O2)I

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NCC2=CC=C(O2)I

InChI

InChI=1S/C13H14INO3S/c1-17-13(16)7-10(11-3-2-6-19-11)15-8-9-4-5-12(14)18-9/h2-6,10,15H,7-8H2,1H3