N-[(2S)-4-methyl-1-[1-(3-oxidanyl-2H-1,4-benzodioxin-3-yl)ethenylamino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-[1-(3-oxidanyl-2H-1,4-benzodioxin-3-yl)ethenylamino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-[1-(3-hydroxy-2H-1,4-benzodioxin-3-yl)vinylcarbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-1-[1-(3-hydroxy-2H-1,4-benzodioxin-3-yl)ethenylamino]-4-methyl-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-[1-(3-hydroxy-2H-1,4-benzodioxin-3-yl)ethenylamino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[1-(3-hydroxy-2H-1,4-benzodioxin-3-yl)vinylcarbamoyl]-3-methyl-butyl]coumarilamide Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(=C)C1(COC2=CC=CC=C2O1)O)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(=C)C1(COC2=CC=CC=C2O1)O)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H26N2O6/c1-15(2)12-18(27-24(29)22-13-17-8-4-5-9-19(17)32-22)23(28)26-16(3)25(30)14-31-20-10-6-7-11-21(20)33-25/h4-11,13,15,18,30H,3,12,14H2,1-2H3,(H,26,28)(H,27,29)/t18-,25?/m0/s1