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

Systemtic Name: 6-[(2R)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2R)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2R)-2-[(1-ethyl-5-phenyl-2-imidazolyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2R)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2R)-2-[(1-ethyl-5-phenyl-imidazol-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=CN=C1S[C@H](C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-3-25-18(15-7-5-4-6-8-15)12-23-22(25)29-14(2)21(27)16-9-10-19-17(11-16)24-20(26)13-28-19/h4-12,14H,3,13H2,1-2H3,(H,24,26)/t14-/m1/s1