4,4-dimethyl-7-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4-dimethyl-7-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-7-[4-(p-tolylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-7-[4-[(4-methylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-7-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-7-[4-(p-tolylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCOC2=CC3=C(C=C2)C(OC(=O)N3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCOC2=CC3=C(C=C2)C(OC(=O)N3)(C)C

InChI

InChI=1S/C21H25NO3S/c1-15-6-9-17(10-7-15)26-13-5-4-12-24-16-8-11-18-19(14-16)22-20(23)25-21(18,2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,23)