7-[4-(3,4-dichlorophenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 7-[4-(3,4-dichlorophenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 7-[4-(3,4-dichlorophenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 7-[4-[(3,4-dichlorophenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 7-[4-(3,4-dichlorophenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 7-[4-[(3,4-dichlorophenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C20H21Cl2NO3S MolecularWeight: 426.35664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2NO3S/c1-20(2)15-7-5-13(11-18(15)23-19(24)26-20)25-9-3-4-10-27-14-6-8-16(21)17(22)12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,24)