4,4,7-trimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4,7-trimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4,7-trimethyl-6-[4-(p-tolylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4,7-trimethyl-6-[4-[(4-methylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4,7-trimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4,7-trimethyl-6-[4-(p-tolylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCOC2=C(C=C3C(=C2)C(OC(=O)N3)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCOC2=C(C=C3C(=C2)C(OC(=O)N3)(C)C)C

InChI

InChI=1S/C22H27NO3S/c1-15-7-9-17(10-8-15)27-12-6-5-11-25-20-14-18-19(13-16(20)2)23-21(24)26-22(18,3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,24)