6-[4-(3,4-dimethylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[4-(3,4-dimethylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(3,4-dimethylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(3,4-dimethylphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(3,4-dimethylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(3,4-dimethylphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C)C)C

InChI

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