6-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(2,3,5,6-tetramethylphenyl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(2,3,5,6-tetramethylphenyl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C)C

InChI

InChI=1S/C20H21NO3S/c1-11-7-12(2)14(4)20(13(11)3)25-10-17(22)15-5-6-18-16(8-15)21-19(23)9-24-18/h5-8H,9-10H2,1-4H3,(H,21,23)