4-[[2-bromanyl-4,5-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]amino]butan-1-ol

Systemtic Name: 4-[[2-bromanyl-4,5-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]amino]butan-1-ol Openeye Name: 4-[(2-bromo-4,5-dimethyl-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)amino]butan-1-ol CAS Name: 4-[(2-bromo-4,5-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-1-butanol IUPAC Name: 4-[(2-bromo-4,5-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]butan-1-ol Traditional Name: 4-[(2-bromo-1,1-diketo-4,5-dimethyl-2,3-dihydrobenzothiophen-3-yl)amino]butan-1-ol Formula: C14H20BrNO3S MolecularWeight: 362.2825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)(=O)C(C2NCCCCO)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)(=O)C(C2NCCCCO)Br)C

InChI

InChI=1S/C14H20BrNO3S/c1-9-5-6-11-12(10(9)2)13(14(15)20(11,18)19)16-7-3-4-8-17/h5-6,13-14,16-17H,3-4,7-8H2,1-2H3