6-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=C(N3CC4CCCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=C(N3CC4CCCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O4S/c1-16(24(30)18-9-10-22-20(12-18)27-23(29)15-32-22)33-25-26-13-21(17-6-3-2-4-7-17)28(25)14-19-8-5-11-31-19/h2-4,6-7,9-10,12-13,16,19H,5,8,11,14-15H2,1H3,(H,27,29)