6-[5-(3,4-dichlorophenyl)sulfanylpentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[5-(3,4-dichlorophenyl)sulfanylpentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[5-(3,4-dichlorophenyl)sulfanylpentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[5-[(3,4-dichlorophenyl)thio]pentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[5-(3,4-dichlorophenyl)sulfanylpentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[5-[(3,4-dichlorophenyl)thio]pentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C21H23Cl2NO3S MolecularWeight: 440.38322

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCCSC3=CC(=C(C=C3)Cl)Cl)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCCSC3=CC(=C(C=C3)Cl)Cl)NC(=O)O1)C

InChI

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