7,8-bis(bromanyl)-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one

Systemtic Name: 7,8-bis(bromanyl)-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 7,8-dibromo-4,4-dimethyl-6-[4-(p-tolylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 7,8-dibromo-4,4-dimethyl-6-[4-[(4-methylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 7,8-dibromo-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 7,8-dibromo-4,4-dimethyl-6-[4-(p-tolylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C21H23Br2NO3S MolecularWeight: 529.28522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCOC2=C(C(=C3C(=C2)C(OC(=O)N3)(C)C)Br)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCOC2=C(C(=C3C(=C2)C(OC(=O)N3)(C)C)Br)Br

InChI

InChI=1S/C21H23Br2NO3S/c1-13-6-8-14(9-7-13)28-11-5-4-10-26-16-12-15-19(18(23)17(16)22)24-20(25)27-21(15,2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,24,25)