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

Systemtic Name: 8-bromanyl-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 8-bromo-4,4-dimethyl-6-[4-(p-tolylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 8-bromo-4,4-dimethyl-6-[4-[(4-methylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 8-bromo-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 8-bromo-4,4-dimethyl-6-[4-(p-tolylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO3S/c1-14-6-8-16(9-7-14)27-11-5-4-10-25-15-12-17-19(18(22)13-15)23-20(24)26-21(17,2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,24)