N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[(3-iodophenyl)methylamino]-2-oxo-ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-2-[(3-iodobenzyl)amino]-2-keto-1-methylol-ethyl]-7-methoxy-coumarilamide Formula: C20H19IN2O5 MolecularWeight: 494.27973

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C20H19IN2O5/c1-27-16-7-3-5-13-9-17(28-18(13)16)20(26)23-15(11-24)19(25)22-10-12-4-2-6-14(21)8-12/h2-9,15,24H,10-11H2,1H3,(H,22,25)(H,23,26)/t15-/m0/s1