5,7-bis(chloranyl)-4,4-dimethyl-6-(4-phenylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one

Systemtic Name: 5,7-bis(chloranyl)-4,4-dimethyl-6-(4-phenylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one Openeye Name: 5,7-dichloro-4,4-dimethyl-6-(4-phenylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one CAS Name: 5,7-dichloro-4,4-dimethyl-6-[4-(phenylthio)butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 5,7-dichloro-4,4-dimethyl-6-(4-phenylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one Traditional Name: 5,7-dichloro-4,4-dimethyl-6-[4-(phenylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C20H21Cl2NO3S MolecularWeight: 426.35664

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=C(C=C2NC(=O)O1)Cl)OCCCCSC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1(C2=C(C(=C(C=C2NC(=O)O1)Cl)OCCCCSC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C20H21Cl2NO3S/c1-20(2)16-15(23-19(24)26-20)12-14(21)18(17(16)22)25-10-6-7-11-27-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,23,24)