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

Systemtic Name: 6-[2-(3,4-dichlorophenyl)sulfanylethoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[2-(3,4-dichlorophenyl)sulfanylethoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[2-[(3,4-dichlorophenyl)thio]ethoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[2-(3,4-dichlorophenyl)sulfanylethoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[2-[(3,4-dichlorophenyl)thio]ethoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C18H17Cl2NO3S MolecularWeight: 398.30348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCSC3=CC(=C(C=C3)Cl)Cl)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCSC3=CC(=C(C=C3)Cl)Cl)NC(=O)O1)C

InChI

InChI=1S/C18H17Cl2NO3S/c1-18(2)13-9-11(3-6-16(13)21-17(22)24-18)23-7-8-25-12-4-5-14(19)15(20)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)