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

Systemtic Name: 5-bromanyl-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 5-bromo-4,4-dimethyl-6-[4-(p-tolylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 5-bromo-4,4-dimethyl-6-[4-[(4-methylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 5-bromo-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 5-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=C(C3=C(C=C2)NC(=O)OC3(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCOC2=C(C3=C(C=C2)NC(=O)OC3(C)C)Br

InChI

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