5,7-dimethyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one

Systemtic Name: 5,7-dimethyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one Openeye Name: 5,7-dimethyl-6-[4-(p-tolylsulfinyl)butoxy]-1,4-dihydro-3,1-benzoxazin-2-one CAS Name: 5,7-dimethyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one IUPAC Name: 5,7-dimethyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one Traditional Name: 5,7-dimethyl-6-[4-(p-tolylsulfinyl)butoxy]-1,4-dihydro-3,1-benzoxazin-2-one Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CCCCOC2=C(C3=C(C=C2C)NC(=O)OC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CCCCOC2=C(C3=C(C=C2C)NC(=O)OC3)C

InChI

InChI=1S/C21H25NO4S/c1-14-6-8-17(9-7-14)27(24)11-5-4-10-25-20-15(2)12-19-18(16(20)3)13-26-21(23)22-19/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,22,23)