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

Systemtic Name: 6-[3-(3,4-dichlorophenyl)sulfanylpropoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[3-(3,4-dichlorophenyl)sulfanylpropoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[3-[(3,4-dichlorophenyl)thio]propoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[3-(3,4-dichlorophenyl)sulfanylpropoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[3-[(3,4-dichlorophenyl)thio]propoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C19H19Cl2NO3S MolecularWeight: 412.33006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCSC3=CC(=C(C=C3)Cl)Cl)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCSC3=CC(=C(C=C3)Cl)Cl)NC(=O)O1)C

InChI

InChI=1S/C19H19Cl2NO3S/c1-19(2)14-10-12(4-7-17(14)22-18(23)25-19)24-8-3-9-26-13-5-6-15(20)16(21)11-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23)