4,4-dimethyl-7-(4-pyridin-2-ylsulfinylbutoxy)-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4-dimethyl-7-(4-pyridin-2-ylsulfinylbutoxy)-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-7-[4-(2-pyridylsulfinyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-7-[4-(2-pyridinylsulfinyl)butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-7-(4-pyridin-2-ylsulfinylbutoxy)-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-7-[4-(2-pyridylsulfinyl)butoxy]-1H-3,1-benzoxazin-2-one Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)OCCCCS(=O)C3=CC=CC=N3)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)OCCCCS(=O)C3=CC=CC=N3)NC(=O)O1)C

InChI

InChI=1S/C19H22N2O4S/c1-19(2)15-9-8-14(13-16(15)21-18(22)25-19)24-11-5-6-12-26(23)17-7-3-4-10-20-17/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,22)