7-bromanyl-4,4-dimethyl-6-[4-(phenylsulfinyl)butoxy]-3H-1,3-benzoxazin-2-one

Systemtic Name: 7-bromanyl-4,4-dimethyl-6-[4-(phenylsulfinyl)butoxy]-3H-1,3-benzoxazin-2-one Openeye Name: 6-[4-(benzenesulfinyl)butoxy]-7-bromo-4,4-dimethyl-3H-1,3-benzoxazin-2-one CAS Name: 6-[4-(benzenesulfinyl)butoxy]-7-bromo-4,4-dimethyl-3H-1,3-benzoxazin-2-one IUPAC Name: 6-[4-(benzenesulfinyl)butoxy]-7-bromo-4,4-dimethyl-3H-1,3-benzoxazin-2-one Traditional Name: 6-[4-(benzenesulfinyl)butoxy]-7-bromo-4,4-dimethyl-3H-1,3-benzoxazin-2-one Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2OC(=O)N1)Br)OCCCCS(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2OC(=O)N1)Br)OCCCCS(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H22BrNO4S/c1-20(2)15-12-18(16(21)13-17(15)26-19(23)22-20)25-10-6-7-11-27(24)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,22,23)