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

Systemtic Name: 5-chloranyl-6-[4-(4-methylphenyl)sulfinylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one Openeye Name: 5-chloro-6-[4-(p-tolylsulfinyl)butoxy]-1,4-dihydro-3,1-benzoxazin-2-one CAS Name: 5-chloro-6-[4-(4-methylphenyl)sulfinylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one IUPAC Name: 5-chloro-6-[4-(4-methylphenyl)sulfinylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one Traditional Name: 5-chloro-6-[4-(p-tolylsulfinyl)butoxy]-1,4-dihydro-3,1-benzoxazin-2-one Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CCCCOC2=C(C3=C(C=C2)NC(=O)OC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CCCCOC2=C(C3=C(C=C2)NC(=O)OC3)Cl

InChI

InChI=1S/C19H20ClNO4S/c1-13-4-6-14(7-5-13)26(23)11-3-2-10-24-17-9-8-16-15(18(17)20)12-25-19(22)21-16/h4-9H,2-3,10-12H2,1H3,(H,21,22)