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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C)C)Br

InChI

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