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

Systemtic Name: 7-chloranyl-4,4-dimethyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 7-chloro-4,4-dimethyl-6-[4-(p-tolylsulfinyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 7-chloro-4,4-dimethyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 7-chloro-4,4-dimethyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 7-chloro-4,4-dimethyl-6-[4-(p-tolylsulfinyl)butoxy]-1H-3,1-benzoxazin-2-one Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CCCCOC2=C(C=C3C(=C2)C(OC(=O)N3)(C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CCCCOC2=C(C=C3C(=C2)C(OC(=O)N3)(C)C)Cl

InChI

InChI=1S/C21H24ClNO4S/c1-14-6-8-15(9-7-14)28(25)11-5-4-10-26-19-12-16-18(13-17(19)22)23-20(24)27-21(16,2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,24)