5,7-bis(chloranyl)-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one

Systemtic Name: 5,7-bis(chloranyl)-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 5,7-dichloro-4,4-dimethyl-6-[4-(p-tolylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 5,7-dichloro-4,4-dimethyl-6-[4-[(4-methylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 5,7-dichloro-4,4-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 5,7-dichloro-4,4-dimethyl-6-[4-(p-tolylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C21H23Cl2NO3S MolecularWeight: 440.38322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCOC2=C(C=C3C(=C2Cl)C(OC(=O)N3)(C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCOC2=C(C=C3C(=C2Cl)C(OC(=O)N3)(C)C)Cl

InChI

InChI=1S/C21H23Cl2NO3S/c1-13-6-8-14(9-7-13)28-11-5-4-10-26-19-15(22)12-16-17(18(19)23)21(2,3)27-20(25)24-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,24,25)