6-[2-(4-tert-butylphenyl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C20H21NO3S/c1-20(2,3)14-5-7-15(8-6-14)25-12-17(22)13-4-9-18-16(10-13)21-19(23)11-24-18/h4-10H,11-12H2,1-3H3,(H,21,23)