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

Systemtic Name: 7-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 7-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 7-[4-[(3,4-dimethoxyphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 7-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 7-[4-[(3,4-dimethoxyphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)OCCCCSC3=CC(=C(C=C3)OC)OC)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)OCCCCSC3=CC(=C(C=C3)OC)OC)NC(=O)O1)C

InChI

InChI=1S/C22H27NO5S/c1-22(2)17-9-7-15(13-18(17)23-21(24)28-22)27-11-5-6-12-29-16-8-10-19(25-3)20(14-16)26-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,24)