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

Systemtic Name: 6-[4-(3,4-dimethylphenyl)sulfanylbutoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(3,4-dimethylphenyl)sulfanylbutoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(3,4-dimethylphenyl)thio]butoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(3,4-dimethylphenyl)sulfanylbutoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(3,4-dimethylphenyl)thio]butoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)OCCCCSC3=CC(=C(C=C3)C)C)NC(=O)O1)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)OCCCCSC3=CC(=C(C=C3)C)C)NC(=O)O1)CC

InChI

InChI=1S/C24H31NO3S/c1-5-24(6-2)21-16-19(10-12-22(21)25-23(26)28-24)27-13-7-8-14-29-20-11-9-17(3)18(4)15-20/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,26)