(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C20H20BrNO5S/c1-22(2)19(23)12-28-18-6-4-3-5-14(18)20(24)27-11-13-9-16-17(10-15(13)21)26-8-7-25-16/h3-6,9-10H,7-8,11-12H2,1-2H3