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

Systemtic Name: 5-chloranyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one Openeye Name: 5-chloro-6-[4-(p-tolylsulfanyl)butoxy]-1,4-dihydro-3,1-benzoxazin-2-one CAS Name: 5-chloro-6-[4-[(4-methylphenyl)thio]butoxy]-1,4-dihydro-3,1-benzoxazin-2-one IUPAC Name: 5-chloro-6-[4-(4-methylphenyl)sulfanylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one Traditional Name: 5-chloro-6-[4-(p-tolylthio)butoxy]-1,4-dihydro-3,1-benzoxazin-2-one Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCOC2=C(C3=C(C=C2)NC(=O)OC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCOC2=C(C3=C(C=C2)NC(=O)OC3)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-13-4-6-14(7-5-13)25-11-3-2-10-23-17-9-8-16-15(18(17)20)12-24-19(22)21-16/h4-9H,2-3,10-12H2,1H3,(H,21,22)